5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H17N5 — CID 178156597

IUPAC5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cc(C3CCCCC3)nc3ncnn23)ccn1
InChIInChI=1S/C16H17N5/c1-2-4-12(5-3-1)14-10-15(13-6-8-17-9-7-13)21-16(20-14)18-11-19-21/h6-12H,1-5H2
InChIKeyOCDRWLOSZWSDMH-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.23
Rot. Bonds2

About 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 178156597) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID178156597
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1cc(-c2cc(C3CCCCC3)nc3ncnn23)ccn1
InChIInChI=1S/C16H17N5/c1-2-4-12(5-3-1)14-10-15(13-6-8-17-9-7-13)21-16(20-14)18-11-19-21/h6-12H,1-5H2
InChIKeyOCDRWLOSZWSDMH-UHFFFAOYSA-N
XLogP3.23
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]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

5-[3-chloro-5-(difluoromethoxy)-1,2-dihydropyridin-2-yl]-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178156510
5-(2-chloro-4-fluorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178156469
5-cyclopropyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 131065089
5-cyclopropyl-7-[5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46851492
5-pyridin-4-yl-7-pyridin-4-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 143398176
5-[1-(cyclohexylmethyl)piperidin-3-yl]-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 110235268
4-[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carbonitrile
CID 178156438
4-chloro-6-cyclopentyl-2-pyrimidin-4-ylpyrimidine
CID 113390238
5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524682
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1485500
7-(3,5-difluorophenyl)-5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17036237
2-[[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929849

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 178156597) is 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1cc(-c2cc(C3CCCCC3)nc3ncnn23)ccn1.
What is the InChIKey of 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OCDRWLOSZWSDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-4-12(5-3-1)14-10-15(13-6-8-17-9-7-13)21-16(20-14)18-11-19-21/h6-12H,1-5H2.
What are the key properties of 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 279.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 178156597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).