(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C14H18N6O — CID 120732429

IUPAC(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCNCC2c2cccnc2)nnn1C
InChIInChI=1S/C14H18N6O/c1-10-13(17-18-19(10)2)14(21)20-7-6-16-9-12(20)11-4-3-5-15-8-11/h3-5,8,12,16H,6-7,9H2,1-2H3
InChIKeyGZQLKIPOYXFHEX-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.31
Rot. Bonds2

About (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120732429) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120732429
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCNCC2c2cccnc2)nnn1C
InChIInChI=1S/C14H18N6O/c1-10-13(17-18-19(10)2)14(21)20-7-6-16-9-12(20)11-4-3-5-15-8-11/h3-5,8,12,16H,6-7,9H2,1-2H3
InChIKeyGZQLKIPOYXFHEX-UHFFFAOYSA-N
XLogP0.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethyltriazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737933
(1-methylpyrrol-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731694
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
1-methyl-3-(2-pyridin-3-ylpiperazine-1-carbonyl)pyridin-2-one
CID 120729469
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
(5-cyclopropyl-1-methylpyrazol-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731863

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120732429) is (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCNCC2c2cccnc2)nnn1C.
What is the InChIKey of (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is GZQLKIPOYXFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-13(17-18-19(10)2)14(21)20-7-6-16-9-12(20)11-4-3-5-15-8-11/h3-5,8,12,16H,6-7,9H2,1-2H3.
What are the key properties of (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120732429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).