[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone

C18H17ClN6O — CID 70708291

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnc2)cc1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H17ClN6O/c19-15-3-6-17(20-11-15)23-7-9-24(10-8-23)18(26)14-1-4-16(5-2-14)25-12-21-22-13-25/h1-6,11-13H,7-10H2
InChIKeyYHJYDMRKGNEABZ-UHFFFAOYSA-N
MW368.83 g/mol
LogP2.28
Rot. Bonds3

About [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 70708291) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID70708291
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnc2)cc1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H17ClN6O/c19-15-3-6-17(20-11-15)23-7-9-24(10-8-23)18(26)14-1-4-16(5-2-14)25-12-21-22-13-25/h1-6,11-13H,7-10H2
InChIKeyYHJYDMRKGNEABZ-UHFFFAOYSA-N
XLogP2.28
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone with MolForge

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Related Compounds

[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468
5-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 56820279
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 56820288
(4-phenylpiperazin-1-yl)-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 91952840
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
[4-(5-chloro-2-pyridinyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 138809682
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone
CID 166618006
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone
CID 70776141
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 60593358
6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971605
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone (CID 70708291) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone is O=C(c1ccc(-n2cnnc2)cc1)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is YHJYDMRKGNEABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c19-15-3-6-17(20-11-15)23-7-9-24(10-8-23)18(26)14-1-4-16(5-2-14)25-12-21-22-13-25/h1-6,11-13H,7-10H2.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 368.83 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 70708291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).