1,4,5,8-tetrahydro-2,7-naphthyridine

C8H10N2 — CID 90996969

IUPAC1,4,5,8-tetrahydro-2,7-naphthyridine
SMILESC1=NCC2=C(C1)CC=NC2
InChIInChI=1S/C8H10N2/c1-3-9-5-8-6-10-4-2-7(1)8/h3-4H,1-2,5-6H2
InChIKeyUAWITPCPYZDNQE-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.23
Rot. Bonds

About 1,4,5,8-tetrahydro-2,7-naphthyridine

1,4,5,8-tetrahydro-2,7-naphthyridine (PubChem CID 90996969) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,4,5,8-tetrahydro-2,7-naphthyridine.

Molecular Properties

Compound Name1,4,5,8-tetrahydro-2,7-naphthyridine
PubChem CID90996969
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,4,5,8-tetrahydro-2,7-naphthyridine
SMILESC1=NCC2=C(C1)CC=NC2
InChIInChI=1S/C8H10N2/c1-3-9-5-8-6-10-4-2-7(1)8/h3-4H,1-2,5-6H2
InChIKeyUAWITPCPYZDNQE-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4,7,8-Tetrahydro-1,6-naphthyridine
CID 91353807
3,4,7,8-Tetrahydro-2,6-naphthyridine
CID 123871542
3,4,5,6-Tetrahydro-2,7-naphthyridine
CID 173199016

Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetrahydro-2,7-naphthyridine?
The IUPAC name of 1,4,5,8-tetrahydro-2,7-naphthyridine (CID 90996969) is 1,4,5,8-tetrahydro-2,7-naphthyridine.
What is the SMILES notation for 1,4,5,8-tetrahydro-2,7-naphthyridine?
The canonical SMILES for 1,4,5,8-tetrahydro-2,7-naphthyridine is C1=NCC2=C(C1)CC=NC2.
What is the InChIKey of 1,4,5,8-tetrahydro-2,7-naphthyridine?
The InChIKey is UAWITPCPYZDNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-9-5-8-6-10-4-2-7(1)8/h3-4H,1-2,5-6H2.
What are the key properties of 1,4,5,8-tetrahydro-2,7-naphthyridine?
1,4,5,8-tetrahydro-2,7-naphthyridine has a molecular weight of 134.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetrahydro-2,7-naphthyridine is sourced from PubChem (CID 90996969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).