Summary

IMPPAT Phytochemical identifier: IMPHY015323

Phytochemical name: 3,6-Dimethyl-1H-indazole

Synonymous chemical names:
3,6-dimethyl-1h-indazole

External chemical identifiers:
CID:589741, ZINC:ZINC000032189050, SureChEMBL:SCHEMBL12247

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Chemical structure information

SMILES:
Cc1ccc2c(c1)n[nH]c2C

InChI:
InChI=1S/C9H10N2/c1-6-3-4-8-7(2)10-11-9(8)5-6/h3-5H,1-2H3,(H,10,11)

InChIKey:
YELUYTLFUPWAIQ-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)n[nH]c5C

Functional groups:
cn[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2n[nH]cc2c1

Scaffold Graph/Node level:
C1CCC2NNCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrazoles

ClassyFire Subclass: Indazoles

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -1.384

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Chemical structure download