4a,7,8,8a-tetrahydro-1,6-naphthyridine

C8H10N2 — CID 91195647

IUPAC4a,7,8,8a-tetrahydro-1,6-naphthyridine
SMILESC1=CC2C=NCCC2N=C1
InChIInChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,4,6-8H,3,5H2
InChIKeyOGBJYYJHJIRSPS-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.09
Rot. Bonds

About 4a,7,8,8a-tetrahydro-1,6-naphthyridine

4a,7,8,8a-tetrahydro-1,6-naphthyridine (PubChem CID 91195647) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4a,7,8,8a-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name4a,7,8,8a-tetrahydro-1,6-naphthyridine
PubChem CID91195647
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4a,7,8,8a-tetrahydro-1,6-naphthyridine
SMILESC1=CC2C=NCCC2N=C1
InChIInChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,4,6-8H,3,5H2
InChIKeyOGBJYYJHJIRSPS-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
CID 164667482
4a,5,6,7,8,8a-Hexahydroquinoline
CID 20587581
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
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3,4,4a,8a-Tetrahydroquinoline
CID 54092524
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
2,3,4,4a-Tetrahydro-1,5-naphthyridine
CID 68052703
6-methyl-5,7,8,8a-tetrahydro-4aH-1,6-naphthyridine
CID 68364908
4a,5,6,8a-Tetrahydroquinoline
CID 89208907
3,5,8,8a-Tetrahydro-1,6-naphthyridine
CID 90723446

Frequently Asked Questions

What is the IUPAC name of 4a,7,8,8a-tetrahydro-1,6-naphthyridine?
The IUPAC name of 4a,7,8,8a-tetrahydro-1,6-naphthyridine (CID 91195647) is 4a,7,8,8a-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 4a,7,8,8a-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 4a,7,8,8a-tetrahydro-1,6-naphthyridine is C1=CC2C=NCCC2N=C1.
What is the InChIKey of 4a,7,8,8a-tetrahydro-1,6-naphthyridine?
The InChIKey is OGBJYYJHJIRSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,4,6-8H,3,5H2.
What are the key properties of 4a,7,8,8a-tetrahydro-1,6-naphthyridine?
4a,7,8,8a-tetrahydro-1,6-naphthyridine has a molecular weight of 134.18 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,7,8,8a-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 91195647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).