7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine

C5H6N6 — CID 83681276

IUPAC7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1nc(N)nc2n[nH]nc12
InChIInChI=1S/C5H6N6/c1-2-3-4(10-11-9-3)8-5(6)7-2/h1H3,(H3,6,7,8,9,10,11)
InChIKeyPPWVAABVTHYCGO-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.36
Rot. Bonds

About 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine

7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 83681276) has the molecular formula C5H6N6 and a molecular weight of 150.14 g/mol. Its IUPAC name is 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine
PubChem CID83681276
Molecular FormulaC5H6N6
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine
SMILESCc1nc(N)nc2n[nH]nc12
InChIInChI=1S/C5H6N6/c1-2-3-4(10-11-9-3)8-5(6)7-2/h1H3,(H3,6,7,8,9,10,11)
InChIKeyPPWVAABVTHYCGO-UHFFFAOYSA-N
XLogP-0.36
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-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 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine (CID 83681276) is 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine is Cc1nc(N)nc2n[nH]nc12.
What is the InChIKey of 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is PPWVAABVTHYCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c1-2-3-4(10-11-9-3)8-5(6)7-2/h1H3,(H3,6,7,8,9,10,11).
What are the key properties of 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine?
7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 150.14 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2H-triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 83681276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).