3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine

C9H11N5 — CID 516628

IUPAC3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine
SMILESCc1nnc2c(N)c(C)nc(C)c2n1
InChIInChI=1S/C9H11N5/c1-4-7(10)9-8(5(2)11-4)12-6(3)13-14-9/h10H2,1-3H3
InChIKeyGDEPNWCPNVVBMR-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.93
Rot. Bonds

About 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine

3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine (PubChem CID 516628) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine.

Molecular Properties

Compound Name3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine
PubChem CID516628
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine
SMILESCc1nnc2c(N)c(C)nc(C)c2n1
InChIInChI=1S/C9H11N5/c1-4-7(10)9-8(5(2)11-4)12-6(3)13-14-9/h10H2,1-3H3
InChIKeyGDEPNWCPNVVBMR-UHFFFAOYSA-N
XLogP0.93
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-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 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine?
The IUPAC name of 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine (CID 516628) is 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine.
What is the SMILES notation for 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine?
The canonical SMILES for 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine is Cc1nnc2c(N)c(C)nc(C)c2n1.
What is the InChIKey of 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine?
The InChIKey is GDEPNWCPNVVBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-4-7(10)9-8(5(2)11-4)12-6(3)13-14-9/h10H2,1-3H3.
What are the key properties of 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine?
3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine has a molecular weight of 189.22 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine is sourced from PubChem (CID 516628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).