2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine

C13H10ClN5O — CID 30032947

IUPAC2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine
SMILESCOc1ccccc1-c1nc(Cl)nn1-c1ncccn1
InChIInChI=1S/C13H10ClN5O/c1-20-10-6-3-2-5-9(10)11-17-12(14)18-19(11)13-15-7-4-8-16-13/h2-8H,1H3
InChIKeyHJCFQPJDYIZTJP-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.39
Rot. Bonds3

About 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine

2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine (PubChem CID 30032947) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine
PubChem CID30032947
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine
SMILESCOc1ccccc1-c1nc(Cl)nn1-c1ncccn1
InChIInChI=1S/C13H10ClN5O/c1-20-10-6-3-2-5-9(10)11-17-12(14)18-19(11)13-15-7-4-8-16-13/h2-8H,1H3
InChIKeyHJCFQPJDYIZTJP-UHFFFAOYSA-N
XLogP2.39
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
CID 30032770
2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine
CID 30032668
5-chloro-2-(2-methoxyphenyl)-1-methylimidazole
CID 117259261
6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327050
4-chloro-2-(2-methoxyphenyl)-1,3-thiazole
CID 83158767
3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole
CID 30032708
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
3-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 54284537
[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
2-(dichloromethyl)-3-methoxypyridine
CID 141354456

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine?
The IUPAC name of 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine (CID 30032947) is 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine?
The canonical SMILES for 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine is COc1ccccc1-c1nc(Cl)nn1-c1ncccn1.
What is the InChIKey of 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine?
The InChIKey is HJCFQPJDYIZTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c1-20-10-6-3-2-5-9(10)11-17-12(14)18-19(11)13-15-7-4-8-16-13/h2-8H,1H3.
What are the key properties of 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine?
2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine has a molecular weight of 287.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine is sourced from PubChem (CID 30032947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).