2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H17N5O — CID 115701777

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2ccn(C3CCCC3)n2)nc2ccccn12
InChIInChI=1S/C15H17N5O/c21-15-18-9-4-3-7-14(18)17-20(15)11-12-8-10-19(16-12)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2
InChIKeyDSBJTCHDAQTQEZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.86
Rot. Bonds3

About 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 115701777) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID115701777
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2ccn(C3CCCC3)n2)nc2ccccn12
InChIInChI=1S/C15H17N5O/c21-15-18-9-4-3-7-14(18)17-20(15)11-12-8-10-19(16-12)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2
InChIKeyDSBJTCHDAQTQEZ-UHFFFAOYSA-N
XLogP1.86
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78942123
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
2-[(2-amino-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43137968
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579366
2-[2-(1-cyclohexyltetrazol-5-yl)sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 128926789
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole
CID 64779569

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 115701777) is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(Cc2ccn(C3CCCC3)n2)nc2ccccn12.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DSBJTCHDAQTQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15-18-9-4-3-7-14(18)17-20(15)11-12-8-10-19(16-12)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2.
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 283.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 115701777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).