1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine

C10H13N3 — CID 123366968

IUPAC1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine
SMILESC1=CC2C(C=N1)CCN1C=NCC21
InChIInChI=1S/C10H13N3/c1-3-11-5-8-2-4-13-7-12-6-10(13)9(1)8/h1,3,5,7-10H,2,4,6H2
InChIKeyBGHFWKVOLUUNDM-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.93
Rot. Bonds

About 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine

1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine (PubChem CID 123366968) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine.

Molecular Properties

Compound Name1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine
PubChem CID123366968
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine
SMILESC1=CC2C(C=N1)CCN1C=NCC21
InChIInChI=1S/C10H13N3/c1-3-11-5-8-2-4-13-7-12-6-10(13)9(1)8/h1,3,5,7-10H,2,4,6H2
InChIKeyBGHFWKVOLUUNDM-UHFFFAOYSA-N
XLogP0.93
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1,7-dimethyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine
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Frequently Asked Questions

What is the IUPAC name of 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine?
The IUPAC name of 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine (CID 123366968) is 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine.
What is the SMILES notation for 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine?
The canonical SMILES for 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine is C1=CC2C(C=N1)CCN1C=NCC21.
What is the InChIKey of 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine?
The InChIKey is BGHFWKVOLUUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-11-5-8-2-4-13-7-12-6-10(13)9(1)8/h1,3,5,7-10H,2,4,6H2.
What are the key properties of 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine?
1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine has a molecular weight of 175.24 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,6a,10a,10b-hexahydroimidazo[5,1-a][2,6]naphthyridine is sourced from PubChem (CID 123366968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).