2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine

C7H13N5 — CID 175409126

IUPAC2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine
SMILESCC(C)(N)CNc1nccnn1
InChIInChI=1S/C7H13N5/c1-7(2,8)5-10-6-9-3-4-11-12-6/h3-4H,5,8H2,1-2H3,(H,9,10,12)
InChIKeyNIWUBVKSOXUSFN-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.02
Rot. Bonds3

About 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine

2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine (PubChem CID 175409126) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine
PubChem CID175409126
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine
SMILESCC(C)(N)CNc1nccnn1
InChIInChI=1S/C7H13N5/c1-7(2,8)5-10-6-9-3-4-11-12-6/h3-4H,5,8H2,1-2H3,(H,9,10,12)
InChIKeyNIWUBVKSOXUSFN-UHFFFAOYSA-N
XLogP0.02
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-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-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine (CID 175409126) is 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine is CC(C)(N)CNc1nccnn1.
What is the InChIKey of 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine?
The InChIKey is NIWUBVKSOXUSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-7(2,8)5-10-6-9-3-4-11-12-6/h3-4H,5,8H2,1-2H3,(H,9,10,12).
What are the key properties of 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine?
2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine has a molecular weight of 167.22 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(1,2,4-triazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 175409126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).