2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C10H14N8 — CID 80765211

IUPAC2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H14N8/c1-2-12-8-15-9(14-7-3-4-7)17-10(16-8)18-6-11-5-13-18/h5-7H,2-4H2,1H3,(H2,12,14,15,16,17)
InChIKeyTXRMMGPAGMTJRL-UHFFFAOYSA-N
MW246.28 g/mol
LogP0.46
Rot. Bonds5

About 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80765211) has the molecular formula C10H14N8 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80765211
Molecular FormulaC10H14N8
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC2CC2)nc(-n2cncn2)n1
InChIInChI=1S/C10H14N8/c1-2-12-8-15-9(14-7-3-4-7)17-10(16-8)18-6-11-5-13-18/h5-7H,2-4H2,1H3,(H2,12,14,15,16,17)
InChIKeyTXRMMGPAGMTJRL-UHFFFAOYSA-N
XLogP0.46
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine 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 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80765211) is 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NC2CC2)nc(-n2cncn2)n1.
What is the InChIKey of 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TXRMMGPAGMTJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8/c1-2-12-8-15-9(14-7-3-4-7)17-10(16-8)18-6-11-5-13-18/h5-7H,2-4H2,1H3,(H2,12,14,15,16,17).
What are the key properties of 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 246.28 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80765211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).