1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine

C8H12N2 — CID 90715878

IUPAC1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine
SMILESC1=CC2NCCCC2C=N1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h3,5-8,10H,1-2,4H2
InChIKeyZCYYIVQAGCJFLH-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.95
Rot. Bonds

About 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine

1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine (PubChem CID 90715878) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine.

Molecular Properties

Compound Name1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine
PubChem CID90715878
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine
SMILESC1=CC2NCCCC2C=N1
InChIInChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h3,5-8,10H,1-2,4H2
InChIKeyZCYYIVQAGCJFLH-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5,5a,9a-tetrahydro-1H-pyrido[4,3-b]azepine
CID 17900726
3-(3H-pyrrol-3-ylmethyl)piperidine
CID 18712976
1,2,3,4,4a,5-Hexahydro-1,7-naphthyridine
CID 20230626
(3R)-3-(3H-pyrrol-3-ylmethyl)piperidine
CID 59042590
2,3,4a,8a-tetrahydro-1H-1,6-naphthyridin-4-one
CID 70247586
2-(3,4-Dihydropyridin-4-yl)-2,9-diazaspiro[4.5]decane
CID 70854007
2,9-Diazaspiro[5.5]undeca-8,10-diene
CID 91614533
1,2,3,4,4a,8a-Hexahydro-1,7-naphthyridine
CID 141037142
N,3-diethyl-3,4-dihydropyridin-4-amine;ethane;methane;molecular hydrogen
CID 144168505
3,4,4a,5,6,7-Hexahydro-1,7-naphthyridin-1-ium
CID 173071601
1,2,3,4,8,8a-Hexahydro-1,6-naphthyridin-6-ium
CID 173071640
1,4,4a,5,6,8a-Hexahydro-1,7-naphthyridin-7-ium
CID 173071867

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine?
The IUPAC name of 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine (CID 90715878) is 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine.
What is the SMILES notation for 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine?
The canonical SMILES for 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine is C1=CC2NCCCC2C=N1.
What is the InChIKey of 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine?
The InChIKey is ZCYYIVQAGCJFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-6-9-5-3-8(7)10-4-1/h3,5-8,10H,1-2,4H2.
What are the key properties of 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine?
1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine has a molecular weight of 136.20 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,8a-hexahydro-1,6-naphthyridine is sourced from PubChem (CID 90715878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).