7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C12H8ClFN4 — CID 43144489

IUPAC7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1ccc(-c2nnc3cc(Cl)ncn23)cc1F
InChIInChI=1S/C12H8ClFN4/c1-7-2-3-8(4-9(7)14)12-17-16-11-5-10(13)15-6-18(11)12/h2-6H,1H3
InChIKeyFCFMKHUGLQSCBH-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.89
Rot. Bonds1

About 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43144489) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43144489
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCc1ccc(-c2nnc3cc(Cl)ncn23)cc1F
InChIInChI=1S/C12H8ClFN4/c1-7-2-3-8(4-9(7)14)12-17-16-11-5-10(13)15-6-18(11)12/h2-6H,1H3
InChIKeyFCFMKHUGLQSCBH-UHFFFAOYSA-N
XLogP2.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-3-(3-fluoro-4-methylphenyl)-[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-3-(2,4-difluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 113396511
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
7-chloro-3-(2-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62508923
7-chloro-3-(3-iodophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144463
4-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)benzonitrile
CID 43144435
3-(1,3-benzodioxol-5-yl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327078
3-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N,N-dimethylaniline
CID 43329194
7-chloro-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327109
7-chloro-3-(1-phenylpyrazol-4-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327138
7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144429
5-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)quinoxaline
CID 104615353
7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 81122277

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43144489) is 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is Cc1ccc(-c2nnc3cc(Cl)ncn23)cc1F.
What is the InChIKey of 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is FCFMKHUGLQSCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c1-7-2-3-8(4-9(7)14)12-17-16-11-5-10(13)15-6-18(11)12/h2-6H,1H3.
What are the key properties of 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 262.68 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43144489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).