5H-[1,2,4]triazino[5,6-b]indol-3-amine

C9H7N5 — CID 5354905

IUPAC5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESNc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C9H7N5/c10-9-12-8-7(13-14-9)5-3-1-2-4-6(5)11-8/h1-4H,(H3,10,11,12,14)
InChIKeyASGZIQFYJJFISO-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.09
Rot. Bonds

About 5H-[1,2,4]triazino[5,6-b]indol-3-amine

5H-[1,2,4]triazino[5,6-b]indol-3-amine (PubChem CID 5354905) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 5H-[1,2,4]triazino[5,6-b]indol-3-amine.

Molecular Properties

Compound Name5H-[1,2,4]triazino[5,6-b]indol-3-amine
PubChem CID5354905
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name5H-[1,2,4]triazino[5,6-b]indol-3-amine
SMILESNc1nnc2c(n1)[nH]c1ccccc12
InChIInChI=1S/C9H7N5/c10-9-12-8-7(13-14-9)5-3-1-2-4-6(5)11-8/h1-4H,(H3,10,11,12,14)
InChIKeyASGZIQFYJJFISO-UHFFFAOYSA-N
XLogP1.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5H-[1,2,4]triazino[5,6-b]indol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The IUPAC name of 5H-[1,2,4]triazino[5,6-b]indol-3-amine (CID 5354905) is 5H-[1,2,4]triazino[5,6-b]indol-3-amine.
What is the SMILES notation for 5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The canonical SMILES for 5H-[1,2,4]triazino[5,6-b]indol-3-amine is Nc1nnc2c(n1)[nH]c1ccccc12.
What is the InChIKey of 5H-[1,2,4]triazino[5,6-b]indol-3-amine?
The InChIKey is ASGZIQFYJJFISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c10-9-12-8-7(13-14-9)5-3-1-2-4-6(5)11-8/h1-4H,(H3,10,11,12,14).
What are the key properties of 5H-[1,2,4]triazino[5,6-b]indol-3-amine?
5H-[1,2,4]triazino[5,6-b]indol-3-amine has a molecular weight of 185.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,2,4]triazino[5,6-b]indol-3-amine is sourced from PubChem (CID 5354905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).