Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017260

Phytochemical name: 2-Hydroxy-4-amino-6-isopropylamino-s-triazine

Synonymous chemical names:
2-Hydroxy-4-amino-6-isopropylamino-s-triazine, 2-hydroxy-4-amino-6-isopropylamino-s-triazine

External chemical identifiers:
CID:CID_135398734, Molport-020-172-240

---

Chemical structure information

SMILES:
CCNc1nc(N)[nH]c(=O)n1

InChI:
InChI=1S/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11)

InChIKey:
XRVCXZWINJOORX-UHFFFAOYSA-N

DeepSMILES:
CCNcncN)[nH]c=O)n6

Functional groups:
cNC, cnc, cN, c[nH]c, c=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ncnc[nH]1

Scaffold Graph/Node level:
OC1NCNCN1

Scaffold Graph level:
CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Triazines

ClassyFire Subclass: 1,3,5-triazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: pteridine alkaloids

NP-Likeness score: -0.742

---

Chemical structure download