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

C9H10ClN3O — CID 162308971

IUPAC3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride
SMILESCc1nccc2[nH]c(=O)c(N)cc12.Cl
InChIInChI=1S/C9H9N3O.ClH/c1-5-6-4-7(10)9(13)12-8(6)2-3-11-5;/h2-4H,10H2,1H3,(H,12,13);1H
InChIKeyXMTKTSPQYTYCES-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.24
Rot. Bonds

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

3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride (PubChem CID 162308971) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride
PubChem CID162308971
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride
SMILESCc1nccc2[nH]c(=O)c(N)cc12.Cl
InChIInChI=1S/C9H9N3O.ClH/c1-5-6-4-7(10)9(13)12-8(6)2-3-11-5;/h2-4H,10H2,1H3,(H,12,13);1H
InChIKeyXMTKTSPQYTYCES-UHFFFAOYSA-N
XLogP1.24
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.24
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;hydrochloride?
The IUPAC name of 3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride (CID 162308971) is 3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride?
The canonical SMILES for 3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride is Cc1nccc2[nH]c(=O)c(N)cc12.Cl.
What is the InChIKey of 3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride?
The InChIKey is XMTKTSPQYTYCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.ClH/c1-5-6-4-7(10)9(13)12-8(6)2-3-11-5;/h2-4H,10H2,1H3,(H,12,13);1H.
What are the key properties of 3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride?
3-amino-5-methyl-1H-1,6-naphthyridin-2-one;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of 1.24, 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;hydrochloride is sourced from PubChem (CID 162308971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).