3-amino-5-methyl-1H-1,6-naphthyridin-2-one

C9H9N3O — CID 13232048

IUPAC3-amino-5-methyl-1H-1,6-naphthyridin-2-one
SMILESCc1nccc2[nH]c(=O)c(N)cc12
InChIInChI=1S/C9H9N3O/c1-5-6-4-7(10)9(13)12-8(6)2-3-11-5/h2-4H,10H2,1H3,(H,12,13)
InChIKeyDFNCTXBIIIZMGQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.81
Rot. Bonds

About 3-amino-5-methyl-1H-1,6-naphthyridin-2-one

3-amino-5-methyl-1H-1,6-naphthyridin-2-one (PubChem CID 13232048) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-amino-5-methyl-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-5-methyl-1H-1,6-naphthyridin-2-one
PubChem CID13232048
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-amino-5-methyl-1H-1,6-naphthyridin-2-one
SMILESCc1nccc2[nH]c(=O)c(N)cc12
InChIInChI=1S/C9H9N3O/c1-5-6-4-7(10)9(13)12-8(6)2-3-11-5/h2-4H,10H2,1H3,(H,12,13)
InChIKeyDFNCTXBIIIZMGQ-UHFFFAOYSA-N
XLogP0.81
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1H-1,6-naphthyridin-2-one?
The IUPAC name of 3-amino-5-methyl-1H-1,6-naphthyridin-2-one (CID 13232048) is 3-amino-5-methyl-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-amino-5-methyl-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-amino-5-methyl-1H-1,6-naphthyridin-2-one is Cc1nccc2[nH]c(=O)c(N)cc12.
What is the InChIKey of 3-amino-5-methyl-1H-1,6-naphthyridin-2-one?
The InChIKey is DFNCTXBIIIZMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-6-4-7(10)9(13)12-8(6)2-3-11-5/h2-4H,10H2,1H3,(H,12,13).
What are the key properties of 3-amino-5-methyl-1H-1,6-naphthyridin-2-one?
3-amino-5-methyl-1H-1,6-naphthyridin-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 13232048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).