6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine

C7H7ClN6 — CID 131198007

IUPAC6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2cn[nH]n2)ncn1
InChIInChI=1S/C7H7ClN6/c8-6-1-7(11-4-10-6)9-2-5-3-12-14-13-5/h1,3-4H,2H2,(H,9,10,11)(H,12,13,14)
InChIKeyCYLULTURMSAXCF-UHFFFAOYSA-N
MW210.63 g/mol
LogP0.86
Rot. Bonds3

About 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine

6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine (PubChem CID 131198007) has the molecular formula C7H7ClN6 and a molecular weight of 210.63 g/mol. Its IUPAC name is 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine
PubChem CID131198007
Molecular FormulaC7H7ClN6
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2cn[nH]n2)ncn1
InChIInChI=1S/C7H7ClN6/c8-6-1-7(11-4-10-6)9-2-5-3-12-14-13-5/h1,3-4H,2H2,(H,9,10,11)(H,12,13,14)
InChIKeyCYLULTURMSAXCF-UHFFFAOYSA-N
XLogP0.86
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-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 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine (CID 131198007) is 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine is Clc1cc(NCc2cn[nH]n2)ncn1.
What is the InChIKey of 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is CYLULTURMSAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6/c8-6-1-7(11-4-10-6)9-2-5-3-12-14-13-5/h1,3-4H,2H2,(H,9,10,11)(H,12,13,14).
What are the key properties of 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine?
6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 210.63 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2H-triazol-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 131198007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).