5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine

C9H12N2 — CID 156571563

IUPAC5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine
SMILESCC1N=CC=C2N=CCCC21
InChIInChI=1S/C9H12N2/c1-7-8-3-2-5-11-9(8)4-6-10-7/h4-8H,2-3H2,1H3
InChIKeyQKJNSKQXAIIKIH-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.82
Rot. Bonds

About 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine

5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine (PubChem CID 156571563) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine
PubChem CID156571563
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine
SMILESCC1N=CC=C2N=CCCC21
InChIInChI=1S/C9H12N2/c1-7-8-3-2-5-11-9(8)4-6-10-7/h4-8H,2-3H2,1H3
InChIKeyQKJNSKQXAIIKIH-UHFFFAOYSA-N
XLogP1.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine?
The IUPAC name of 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine (CID 156571563) is 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine is CC1N=CC=C2N=CCCC21.
What is the InChIKey of 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine?
The InChIKey is QKJNSKQXAIIKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-7-8-3-2-5-11-9(8)4-6-10-7/h4-8H,2-3H2,1H3.
What are the key properties of 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine?
5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine has a molecular weight of 148.21 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4,4a,5-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 156571563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).