7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

C10H9ClN6 — CID 65426301

IUPAC7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(-c3cnn(C)c3)n12
InChIInChI=1S/C10H9ClN6/c1-6-13-8(11)3-9-14-15-10(17(6)9)7-4-12-16(2)5-7/h3-5H,1-2H3
InChIKeyJRZBDNSVOQJERB-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.49
Rot. Bonds1

About 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 65426301) has the molecular formula C10H9ClN6 and a molecular weight of 248.68 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID65426301
Molecular FormulaC10H9ClN6
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1nc(Cl)cc2nnc(-c3cnn(C)c3)n12
InChIInChI=1S/C10H9ClN6/c1-6-13-8(11)3-9-14-15-10(17(6)9)7-4-12-16(2)5-7/h3-5H,1-2H3
InChIKeyJRZBDNSVOQJERB-UHFFFAOYSA-N
XLogP1.49
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-5-methyl-3-pyridazin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 104670912
3-(4-bromophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428437
3-(4-tert-butylphenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428394
7-chloro-5-methyl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428011
7-chloro-3-(4,5-dimethylthiophen-2-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428590
5-(7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-4-propylthiadiazole
CID 65426122
7-chloro-3-(2,6-dimethyl-3-pyridinyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428791
3-(5-bromo-2-chlorophenyl)-7-chloro-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428008
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 106715293

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 65426301) is 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1nc(Cl)cc2nnc(-c3cnn(C)c3)n12.
What is the InChIKey of 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is JRZBDNSVOQJERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6/c1-6-13-8(11)3-9-14-15-10(17(6)9)7-4-12-16(2)5-7/h3-5H,1-2H3.
What are the key properties of 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 248.68 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 65426301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).