7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine

C11H14ClN5 — CID 138684495

IUPAC7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine
SMILESC[C@@H]1CCCC[C@H]1n1nnc2c(Cl)ncnc21
InChIInChI=1S/C11H14ClN5/c1-7-4-2-3-5-8(7)17-11-9(15-16-17)10(12)13-6-14-11/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyYEAPMQXDWJRYPC-HTQZYQBOSA-N
MW251.72 g/mol
LogP2.63
Rot. Bonds1

About 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine

7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine (PubChem CID 138684495) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine
PubChem CID138684495
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine
SMILESC[C@@H]1CCCC[C@H]1n1nnc2c(Cl)ncnc21
InChIInChI=1S/C11H14ClN5/c1-7-4-2-3-5-8(7)17-11-9(15-16-17)10(12)13-6-14-11/h6-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyYEAPMQXDWJRYPC-HTQZYQBOSA-N
XLogP2.63
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine 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-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine?
The IUPAC name of 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine (CID 138684495) is 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine is C[C@@H]1CCCC[C@H]1n1nnc2c(Cl)ncnc21.
What is the InChIKey of 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine?
The InChIKey is YEAPMQXDWJRYPC-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7-4-2-3-5-8(7)17-11-9(15-16-17)10(12)13-6-14-11/h6-8H,2-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine?
7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine has a molecular weight of 251.72 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(1R,2R)-2-methylcyclohexyl]triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 138684495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).