2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine

C12H14N4 — CID 61338696

IUPAC2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-c2n[nH]c(C3CCCC3)n2)nc1
InChIInChI=1S/C12H14N4/c1-2-6-9(5-1)11-14-12(16-15-11)10-7-3-4-8-13-10/h3-4,7-9H,1-2,5-6H2,(H,14,15,16)
InChIKeyMBWODAJDHWUOEN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.52
Rot. Bonds2

About 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine

2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 61338696) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID61338696
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-c2n[nH]c(C3CCCC3)n2)nc1
InChIInChI=1S/C12H14N4/c1-2-6-9(5-1)11-14-12(16-15-11)10-7-3-4-8-13-10/h3-4,7-9H,1-2,5-6H2,(H,14,15,16)
InChIKeyMBWODAJDHWUOEN-UHFFFAOYSA-N
XLogP2.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Topiroxostat
CID 5288320
2-(3-(Pyridin-4-yl)-1H-1,2,4-triazol-5-yl)pyridine
CID 2803172
4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
CID 571203
2-(3-(2-Pyridinyl)-1H-1,2,4-triazol-5-yl)pyridine
CID 314836
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)
CID 2443499
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
CID 199040
3-(Pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 215363
3,5-bis(2-methylpyridin-4-yl)-1H-1,2,4-triazole
CID 20309751
2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
1H-1,2,4-Triazole, 5-(4-pyridyl)-
CID 203621
2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine
CID 12787364

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine (CID 61338696) is 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine is c1ccc(-c2n[nH]c(C3CCCC3)n2)nc1.
What is the InChIKey of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is MBWODAJDHWUOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-6-9(5-1)11-14-12(16-15-11)10-7-3-4-8-13-10/h3-4,7-9H,1-2,5-6H2,(H,14,15,16).
What are the key properties of 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine?
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 214.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 61338696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).