8-amino-3-methyl-1H-1,7-naphthyridin-2-one

C9H9N3O — CID 146573775

IUPAC8-amino-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(N)c2[nH]c1=O
InChIInChI=1S/C9H9N3O/c1-5-4-6-2-3-11-8(10)7(6)12-9(5)13/h2-4H,1H3,(H2,10,11)(H,12,13)
InChIKeyHQSPDAABBNRODU-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.81
Rot. Bonds

About 8-amino-3-methyl-1H-1,7-naphthyridin-2-one

8-amino-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 146573775) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 8-amino-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-amino-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID146573775
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name8-amino-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(N)c2[nH]c1=O
InChIInChI=1S/C9H9N3O/c1-5-4-6-2-3-11-8(10)7(6)12-9(5)13/h2-4H,1H3,(H2,10,11)(H,12,13)
InChIKeyHQSPDAABBNRODU-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 8-amino-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-amino-3-methyl-1H-1,7-naphthyridin-2-one (CID 146573775) is 8-amino-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-amino-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-amino-3-methyl-1H-1,7-naphthyridin-2-one is Cc1cc2ccnc(N)c2[nH]c1=O.
What is the InChIKey of 8-amino-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is HQSPDAABBNRODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-4-6-2-3-11-8(10)7(6)12-9(5)13/h2-4H,1H3,(H2,10,11)(H,12,13).
What are the key properties of 8-amino-3-methyl-1H-1,7-naphthyridin-2-one?
8-amino-3-methyl-1H-1,7-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 8-amino-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 146573775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).