3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one

C16H11N5O — CID 130228941

IUPAC3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2ncccc2cc1-c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H11N5O/c22-16-13(9-11-5-4-8-17-15(11)18-16)14-10-21(20-19-14)12-6-2-1-3-7-12/h1-10H,(H,17,18,22)
InChIKeyVHJWDIZVNDNTLC-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.17
Rot. Bonds2

About 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one

3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 130228941) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one
PubChem CID130228941
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2ncccc2cc1-c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H11N5O/c22-16-13(9-11-5-4-8-17-15(11)18-16)14-10-21(20-19-14)12-6-2-1-3-7-12/h1-10H,(H,17,18,22)
InChIKeyVHJWDIZVNDNTLC-UHFFFAOYSA-N
XLogP2.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Phenyl-4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)-N-(5-phenylpyridin-2-yl)acetamide
CID 134154594
US10774086, Example 2
CID 134551579
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135567109
8-[4-(2-piperidin-1-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137174995
8-[4-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137175180
2-[4-(3-methyl-4-pyridinyl)-5-phenyltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134145164
1-(3-(Trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 16035164
N-(5-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyrazin-2-yl)benzamide
CID 52946747
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149
N-[3-[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
CID 86302767
N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide
CID 134137213

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one (CID 130228941) is 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one is O=c1[nH]c2ncccc2cc1-c1cn(-c2ccccc2)nn1.
What is the InChIKey of 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is VHJWDIZVNDNTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c22-16-13(9-11-5-4-8-17-15(11)18-16)14-10-21(20-19-14)12-6-2-1-3-7-12/h1-10H,(H,17,18,22).
What are the key properties of 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one?
3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one has a molecular weight of 289.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyltriazol-4-yl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 130228941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).