5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine

C13H13N3 — CID 129310863

IUPAC5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine
SMILESCN1C=c2cc(N)ccc2=C2N=CC=CC21
InChIInChI=1S/C13H13N3/c1-16-8-9-7-10(14)4-5-11(9)13-12(16)3-2-6-15-13/h2-8,12H,14H2,1H3
InChIKeyDDPNJFSJOAFLHS-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.07
Rot. Bonds

About 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine

5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine (PubChem CID 129310863) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine.

Molecular Properties

Compound Name5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine
PubChem CID129310863
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine
SMILESCN1C=c2cc(N)ccc2=C2N=CC=CC21
InChIInChI=1S/C13H13N3/c1-16-8-9-7-10(14)4-5-11(9)13-12(16)3-2-6-15-13/h2-8,12H,14H2,1H3
InChIKeyDDPNJFSJOAFLHS-UHFFFAOYSA-N
XLogP0.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine?
The IUPAC name of 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine (CID 129310863) is 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine.
What is the SMILES notation for 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine?
The canonical SMILES for 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine is CN1C=c2cc(N)ccc2=C2N=CC=CC21.
What is the InChIKey of 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine?
The InChIKey is DDPNJFSJOAFLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-16-8-9-7-10(14)4-5-11(9)13-12(16)3-2-6-15-13/h2-8,12H,14H2,1H3.
What are the key properties of 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine?
5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine has a molecular weight of 211.27 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4aH-benzo[c][1,5]naphthyridin-8-amine is sourced from PubChem (CID 129310863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).