3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine

C9H14N6 — CID 7424116

IUPAC3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)CNc1ncnc2c1nnn2C
InChIInChI=1S/C9H14N6/c1-6(2)4-10-8-7-9(12-5-11-8)15(3)14-13-7/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyXWOZCYPNFUMWIK-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.83
Rot. Bonds3

About 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine

3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7424116) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID7424116
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)CNc1ncnc2c1nnn2C
InChIInChI=1S/C9H14N6/c1-6(2)4-10-8-7-9(12-5-11-8)15(3)14-13-7/h5-6H,4H2,1-3H3,(H,10,11,12)
InChIKeyXWOZCYPNFUMWIK-UHFFFAOYSA-N
XLogP0.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-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-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine (CID 7424116) is 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine is CC(C)CNc1ncnc2c1nnn2C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is XWOZCYPNFUMWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-6(2)4-10-8-7-9(12-5-11-8)15(3)14-13-7/h5-6H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine?
3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 206.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7424116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).