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

C18H18N6O — CID 17407858

IUPAC2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cn1nc2ccccn2c1=O
InChIInChI=1S/C18H18N6O/c1-21(14-24-18(25)22-10-6-5-9-17(22)20-24)12-15-11-19-23(13-15)16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3
InChIKeyVHPJOKYODWQRAQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.77
Rot. Bonds5

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

2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 17407858) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID17407858
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(Cc1cnn(-c2ccccc2)c1)Cn1nc2ccccn2c1=O
InChIInChI=1S/C18H18N6O/c1-21(14-24-18(25)22-10-6-5-9-17(22)20-24)12-15-11-19-23(13-15)16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3
InChIKeyVHPJOKYODWQRAQ-UHFFFAOYSA-N
XLogP1.77
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-phenylphthalazin-1-one
CID 36697142
2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17422939
3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 35946259
3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione
CID 9322302
4-methyl-5-(2-methylphenyl)-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-1,2,4-triazole-3-thione
CID 9322211
5-cyclopropyl-2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione
CID 27392470
1-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]benzimidazole-2-thione
CID 31388003
2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75864744
1-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 111105745
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
(5R)-5-(2-bromophenyl)-5-methyl-3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]imidazolidine-2,4-dione
CID 31939405

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 17407858) is 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN(Cc1cnn(-c2ccccc2)c1)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is VHPJOKYODWQRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-21(14-24-18(25)22-10-6-5-9-17(22)20-24)12-15-11-19-23(13-15)16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3.
What are the key properties of 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 334.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 17407858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).