3,8a-dimethyl-3H-1,5-naphthyridine

C10H12N2 — CID 123905928

IUPAC3,8a-dimethyl-3H-1,5-naphthyridine
SMILESCC1C=NC2(C)C=CC=NC2=C1
InChIInChI=1S/C10H12N2/c1-8-6-9-10(2,12-7-8)4-3-5-11-9/h3-8H,1-2H3
InChIKeyFCCBDOKNLPPNNU-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.99
Rot. Bonds

About 3,8a-dimethyl-3H-1,5-naphthyridine

3,8a-dimethyl-3H-1,5-naphthyridine (PubChem CID 123905928) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3,8a-dimethyl-3H-1,5-naphthyridine.

Molecular Properties

Compound Name3,8a-dimethyl-3H-1,5-naphthyridine
PubChem CID123905928
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3,8a-dimethyl-3H-1,5-naphthyridine
SMILESCC1C=NC2(C)C=CC=NC2=C1
InChIInChI=1S/C10H12N2/c1-8-6-9-10(2,12-7-8)4-3-5-11-9/h3-8H,1-2H3
InChIKeyFCCBDOKNLPPNNU-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,8a-Dihydro-1,5-naphthyridine
CID 91252353
7-Methyl-4a,5-dihydro-1,6-naphthyridine
CID 123971248
2-(3,4-Dihydropyridin-6-yl)-3-ethenyl-2,3-dihydropyridine
CID 132273770
(2E)-3-methyl-2-propylidene-3H-pyridine
CID 141980298
3,4a,5-trimethyl-5H-quinoxaline
CID 163480902
3-Methyl-2,3-dihydro-1,5-naphthyridine
CID 144598204
(2E,3E)-2-ethylidene-3-[(2E)-2-ethylidene-3-pyridinylidene]pyrazine
CID 145322447

Frequently Asked Questions

What is the IUPAC name of 3,8a-dimethyl-3H-1,5-naphthyridine?
The IUPAC name of 3,8a-dimethyl-3H-1,5-naphthyridine (CID 123905928) is 3,8a-dimethyl-3H-1,5-naphthyridine.
What is the SMILES notation for 3,8a-dimethyl-3H-1,5-naphthyridine?
The canonical SMILES for 3,8a-dimethyl-3H-1,5-naphthyridine is CC1C=NC2(C)C=CC=NC2=C1.
What is the InChIKey of 3,8a-dimethyl-3H-1,5-naphthyridine?
The InChIKey is FCCBDOKNLPPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-6-9-10(2,12-7-8)4-3-5-11-9/h3-8H,1-2H3.
What are the key properties of 3,8a-dimethyl-3H-1,5-naphthyridine?
3,8a-dimethyl-3H-1,5-naphthyridine has a molecular weight of 160.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8a-dimethyl-3H-1,5-naphthyridine is sourced from PubChem (CID 123905928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).