7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H10ClN5 — CID 66497872

IUPAC7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2ccnc3nc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C16H10ClN5/c17-13-5-3-11(4-6-13)14-7-9-19-16-20-15(21-22(14)16)12-2-1-8-18-10-12/h1-10H
InChIKeyXRERSUPTQJLMIE-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.51
Rot. Bonds2

About 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66497872) has the molecular formula C16H10ClN5 and a molecular weight of 307.74 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66497872
Molecular FormulaC16H10ClN5
Molecular Weight307.74 g/mol
Exact Mass307.06
IUPAC Name7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc(-c2ccnc3nc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C16H10ClN5/c17-13-5-3-11(4-6-13)14-7-9-19-16-20-15(21-22(14)16)12-2-1-8-18-10-12/h1-10H
InChIKeyXRERSUPTQJLMIE-UHFFFAOYSA-N
XLogP3.51
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497848
7-[4-[(4-chlorophenyl)methoxy]phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498301
2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498295
7-pyridin-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497841
(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103317716
7-(2-chlorophenyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56737952
7-(4-methoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497840
2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307
7-[3-(cyclopropylmethoxy)-2-(difluoromethoxy)phenyl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66811172
3-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 11299190
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
(6-chloro-3-pyridinyl)-[4-(7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazin-1-yl]methanone
CID 46092923

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66497872) is 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccc(-c2ccnc3nc(-c4cccnc4)nn23)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XRERSUPTQJLMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5/c17-13-5-3-11(4-6-13)14-7-9-19-16-20-15(21-22(14)16)12-2-1-8-18-10-12/h1-10H.
What are the key properties of 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 307.74 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66497872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).