(3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone

C17H17N5O — CID 74230944

IUPAC(3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
SMILESO=C(c1ccn2cnnc2c1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H17N5O/c23-17(14-6-8-22-12-19-20-16(22)10-14)21-9-7-18-15(11-21)13-4-2-1-3-5-13/h1-6,8,10,12,15,18H,7,9,11H2
InChIKeyMKPKAJGNGRDEIQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.52
Rot. Bonds2

About (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone

(3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone (PubChem CID 74230944) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name(3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
PubChem CID74230944
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone
SMILESO=C(c1ccn2cnnc2c1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H17N5O/c23-17(14-6-8-22-12-19-20-16(22)10-14)21-9-7-18-15(11-21)13-4-2-1-3-5-13/h1-6,8,10,12,15,18H,7,9,11H2
InChIKeyMKPKAJGNGRDEIQ-UHFFFAOYSA-N
XLogP1.52
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
(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
6-(3-phenylpiperazine-1-carbonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167870920
N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide
CID 135236329
[3-(3-hydroxy-3-methylbutyl)phenyl]-(3-phenylpiperazin-1-yl)methanone
CID 70742075
phenyl-(5-phenyl-1,4-diazepan-1-yl)methanone
CID 51351002
1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 97141855
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 (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
The IUPAC name of (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone (CID 74230944) is (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone.
What is the SMILES notation for (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
The canonical SMILES for (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone is O=C(c1ccn2cnnc2c1)N1CCNC(c2ccccc2)C1.
What is the InChIKey of (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
The InChIKey is MKPKAJGNGRDEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(14-6-8-22-12-19-20-16(22)10-14)21-9-7-18-15(11-21)13-4-2-1-3-5-13/h1-6,8,10,12,15,18H,7,9,11H2.
What are the key properties of (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone?
(3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpiperazin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-7-yl)methanone is sourced from PubChem (CID 74230944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).