1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine

C8H11N3 — CID 126691479

IUPAC1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine
SMILESNC1NC=CC2NC=CC=C12
InChIInChI=1S/C8H11N3/c9-8-6-2-1-4-10-7(6)3-5-11-8/h1-5,7-8,10-11H,9H2
InChIKeyOPASQIYQQGGQQY-UHFFFAOYSA-N
MW149.20 g/mol
LogP-0.20
Rot. Bonds

About 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine

1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine (PubChem CID 126691479) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine.

Molecular Properties

Compound Name1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine
PubChem CID126691479
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine
SMILESNC1NC=CC2NC=CC=C12
InChIInChI=1S/C8H11N3/c9-8-6-2-1-4-10-7(6)3-5-11-8/h1-5,7-8,10-11H,9H2
InChIKeyOPASQIYQQGGQQY-UHFFFAOYSA-N
XLogP-0.20
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine?
The IUPAC name of 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine (CID 126691479) is 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine.
What is the SMILES notation for 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine?
The canonical SMILES for 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine is NC1NC=CC2NC=CC=C12.
What is the InChIKey of 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine?
The InChIKey is OPASQIYQQGGQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-8-6-2-1-4-10-7(6)3-5-11-8/h1-5,7-8,10-11H,9H2.
What are the key properties of 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine?
1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine has a molecular weight of 149.20 g/mol, XLogP of -0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,8a-tetrahydro-1,6-naphthyridin-5-amine is sourced from PubChem (CID 126691479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).