[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone

C13H14ClN5O — CID 112729784

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H14ClN5O/c14-10-3-1-2-4-12(10)18-5-7-19(8-6-18)13(20)11-9-15-17-16-11/h1-4,9H,5-8H2,(H,15,16,17)
InChIKeyPBJAFIOUMKAQID-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.42
Rot. Bonds2

About [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone

[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 112729784) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID112729784
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
SMILESO=C(c1cn[nH]n1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H14ClN5O/c14-10-3-1-2-4-12(10)18-5-7-19(8-6-18)13(20)11-9-15-17-16-11/h1-4,9H,5-8H2,(H,15,16,17)
InChIKeyPBJAFIOUMKAQID-UHFFFAOYSA-N
XLogP1.42
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
(2-chloro-4-fluorophenyl)-[4-(2H-triazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134695794
[4-(2-chlorophenyl)piperazin-1-yl]-(4,5-dichlorothiophen-2-yl)methanone
CID 110190687
(4-methyl-1,4-diazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 112732680
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 56817573
4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid
CID 134498265
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 25356068
[4-(2-chlorophenyl)piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 51309762
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
(2-benzyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)-(2H-triazol-4-yl)methanone
CID 162634486

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone (CID 112729784) is [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone is O=C(c1cn[nH]n1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is PBJAFIOUMKAQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c14-10-3-1-2-4-12(10)18-5-7-19(8-6-18)13(20)11-9-15-17-16-11/h1-4,9H,5-8H2,(H,15,16,17).
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 291.74 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 112729784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).