5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one

C11H9N5O — CID 10263131

IUPAC5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one
SMILESCc1ncn(-c2nccc3[nH]c(=O)ccc23)n1
InChIInChI=1S/C11H9N5O/c1-7-13-6-16(15-7)11-8-2-3-10(17)14-9(8)4-5-12-11/h2-6H,1H3,(H,14,17)
InChIKeyRXYCJAJEWKLWMO-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.81
Rot. Bonds1

About 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one

5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one (PubChem CID 10263131) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one
PubChem CID10263131
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one
SMILESCc1ncn(-c2nccc3[nH]c(=O)ccc23)n1
InChIInChI=1S/C11H9N5O/c1-7-13-6-16(15-7)11-8-2-3-10(17)14-9(8)4-5-12-11/h2-6H,1H3,(H,14,17)
InChIKeyRXYCJAJEWKLWMO-UHFFFAOYSA-N
XLogP0.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one?
The IUPAC name of 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one (CID 10263131) is 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one is Cc1ncn(-c2nccc3[nH]c(=O)ccc23)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one?
The InChIKey is RXYCJAJEWKLWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-13-6-16(15-7)11-8-2-3-10(17)14-9(8)4-5-12-11/h2-6H,1H3,(H,14,17).
What are the key properties of 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one?
5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one has a molecular weight of 227.23 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-triazol-1-yl)-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 10263131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).