6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H17N5O2 — CID 167870920

IUPAC6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccc2n[nH]c(=O)n2c1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H17N5O2/c23-16(13-6-7-15-19-20-17(24)22(15)10-13)21-9-8-18-14(11-21)12-4-2-1-3-5-12/h1-7,10,14,18H,8-9,11H2,(H,20,24)
InChIKeyDICCRLSQQIRYSA-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.81
Rot. Bonds2

About 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 167870920) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID167870920
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(c1ccc2n[nH]c(=O)n2c1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H17N5O2/c23-16(13-6-7-15-19-20-17(24)22(15)10-13)21-9-8-18-14(11-21)12-4-2-1-3-5-12/h1-7,10,14,18H,8-9,11H2,(H,20,24)
InChIKeyDICCRLSQQIRYSA-UHFFFAOYSA-N
XLogP0.81
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 72928198
[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97150781
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 97141855
N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide
CID 135236329
(3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
CID 74230944
phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone
CID 51351002
6-[(2S)-2-cyclopentylazetidine-1-carbonyl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 164640392
3-oxo-3-(3-phenylpiperazin-1-yl)propanenitrile
CID 110477949
(2,5-dimethyl-1,3-thiazol-4-yl)-(3-phenylpiperazin-1-yl)methanone
CID 74232531
1-methyl-5-(3-phenylpiperazine-1-carbonyl)pyrrole-3-carbonitrile
CID 74246738

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 167870920) is 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(c1ccc2n[nH]c(=O)n2c1)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DICCRLSQQIRYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-16(13-6-7-15-19-20-17(24)22(15)10-13)21-9-8-18-14(11-21)12-4-2-1-3-5-12/h1-7,10,14,18H,8-9,11H2,(H,20,24).
What are the key properties of 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 323.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 167870920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).