2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine

C15H21N7 — CID 167968344

IUPAC2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(c3n[nH]c(C4CCCC4)n3)CC2)nc1
InChIInChI=1S/C15H21N7/c1-2-5-12(4-1)13-18-15(20-19-13)22-10-8-21(9-11-22)14-16-6-3-7-17-14/h3,6-7,12H,1-2,4-5,8-11H2,(H,18,19,20)
InChIKeyXJRKWQSIWJVZOF-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.58
Rot. Bonds3

About 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine

2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine (PubChem CID 167968344) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine
PubChem CID167968344
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(c3n[nH]c(C4CCCC4)n3)CC2)nc1
InChIInChI=1S/C15H21N7/c1-2-5-12(4-1)13-18-15(20-19-13)22-10-8-21(9-11-22)14-16-6-3-7-17-14/h3,6-7,12H,1-2,4-5,8-11H2,(H,18,19,20)
InChIKeyXJRKWQSIWJVZOF-UHFFFAOYSA-N
XLogP1.58
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799146
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine
CID 102797265
(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
2-[(3R)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 124615473
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
CID 61338696
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
6-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102793592
4-cyclopentyl-2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 70733172
3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole
CID 167924789

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine (CID 167968344) is 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine is c1cnc(N2CCN(c3n[nH]c(C4CCCC4)n3)CC2)nc1.
What is the InChIKey of 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine?
The InChIKey is XJRKWQSIWJVZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-2-5-12(4-1)13-18-15(20-19-13)22-10-8-21(9-11-22)14-16-6-3-7-17-14/h3,6-7,12H,1-2,4-5,8-11H2,(H,18,19,20).
What are the key properties of 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine?
2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine has a molecular weight of 299.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 167968344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).