3,4,4a,5-tetrahydro-1,7-naphthyridine

C8H10N2 — CID 90904655

IUPAC3,4,4a,5-tetrahydro-1,7-naphthyridine
SMILESC1=NC=C2N=CCCC2C1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h4-7H,1-3H2
InChIKeyBVWMDZNHLIYWHP-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.78
Rot. Bonds

About 3,4,4a,5-tetrahydro-1,7-naphthyridine

3,4,4a,5-tetrahydro-1,7-naphthyridine (PubChem CID 90904655) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-1,7-naphthyridine
PubChem CID90904655
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3,4,4a,5-tetrahydro-1,7-naphthyridine
SMILESC1=NC=C2N=CCCC2C1
InChIInChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h4-7H,1-3H2
InChIKeyBVWMDZNHLIYWHP-UHFFFAOYSA-N
XLogP1.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3,4-dimethyl-2-methylidene-4,5-dihydro-3H-pyridine
CID 59584690
3,4,4a,8a-Tetrahydro-2,6-naphthyridine
CID 70651402
3,4,4a,8a-Tetrahydro-1,6-naphthyridine
CID 91062790
3,4,4a,5,6,7-Hexahydro-1,7-naphthyridin-1-ium
CID 173071601
3,4,4a,5-Tetrahydro-1,7-naphthyridin-7-ium
CID 173072176
N-(3-ethylhex-1-en-2-yl)propan-1-imine
CID 143763220
3,4,4a,5,6,7-Hexahydro-1,7-naphthyridine
CID 173071602

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-1,7-naphthyridine?
The IUPAC name of 3,4,4a,5-tetrahydro-1,7-naphthyridine (CID 90904655) is 3,4,4a,5-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for 3,4,4a,5-tetrahydro-1,7-naphthyridine?
The canonical SMILES for 3,4,4a,5-tetrahydro-1,7-naphthyridine is C1=NC=C2N=CCCC2C1.
What is the InChIKey of 3,4,4a,5-tetrahydro-1,7-naphthyridine?
The InChIKey is BVWMDZNHLIYWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-3-5-9-6-8(7)10-4-1/h4-7H,1-3H2.
What are the key properties of 3,4,4a,5-tetrahydro-1,7-naphthyridine?
3,4,4a,5-tetrahydro-1,7-naphthyridine has a molecular weight of 134.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 90904655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).