2-methylbenzo[h][1,6]naphthyridin-5-amine

C13H11N3 — CID 90682326

IUPAC2-methylbenzo[h][1,6]naphthyridin-5-amine
SMILESCc1ccc2c(N)nc3ccccc3c2n1
InChIInChI=1S/C13H11N3/c1-8-6-7-10-12(15-8)9-4-2-3-5-11(9)16-13(10)14/h2-7H,1H3,(H2,14,16)
InChIKeyZXHFXJMJCZTEPI-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.67
Rot. Bonds

About 2-methylbenzo[h][1,6]naphthyridin-5-amine

2-methylbenzo[h][1,6]naphthyridin-5-amine (PubChem CID 90682326) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methylbenzo[h][1,6]naphthyridin-5-amine.

Molecular Properties

Compound Name2-methylbenzo[h][1,6]naphthyridin-5-amine
PubChem CID90682326
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-methylbenzo[h][1,6]naphthyridin-5-amine
SMILESCc1ccc2c(N)nc3ccccc3c2n1
InChIInChI=1S/C13H11N3/c1-8-6-7-10-12(15-8)9-4-2-3-5-11(9)16-13(10)14/h2-7H,1H3,(H2,14,16)
InChIKeyZXHFXJMJCZTEPI-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzo[h][1,6]naphthyridin-5-amine?
The IUPAC name of 2-methylbenzo[h][1,6]naphthyridin-5-amine (CID 90682326) is 2-methylbenzo[h][1,6]naphthyridin-5-amine.
What is the SMILES notation for 2-methylbenzo[h][1,6]naphthyridin-5-amine?
The canonical SMILES for 2-methylbenzo[h][1,6]naphthyridin-5-amine is Cc1ccc2c(N)nc3ccccc3c2n1.
What is the InChIKey of 2-methylbenzo[h][1,6]naphthyridin-5-amine?
The InChIKey is ZXHFXJMJCZTEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-8-6-7-10-12(15-8)9-4-2-3-5-11(9)16-13(10)14/h2-7H,1H3,(H2,14,16).
What are the key properties of 2-methylbenzo[h][1,6]naphthyridin-5-amine?
2-methylbenzo[h][1,6]naphthyridin-5-amine has a molecular weight of 209.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[h][1,6]naphthyridin-5-amine is sourced from PubChem (CID 90682326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).