8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine

C10H16N4 — CID 129261943

IUPAC8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine
SMILESCN1CCC2c3nncn3CCC2C1
InChIInChI=1S/C10H16N4/c1-13-4-3-9-8(6-13)2-5-14-7-11-12-10(9)14/h7-9H,2-6H2,1H3
InChIKeyBVDYRUKMYLQGEY-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.72
Rot. Bonds

About 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine

8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine (PubChem CID 129261943) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine.

Molecular Properties

Compound Name8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine
PubChem CID129261943
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine
SMILESCN1CCC2c3nncn3CCC2C1
InChIInChI=1S/C10H16N4/c1-13-4-3-9-8(6-13)2-5-14-7-11-12-10(9)14/h7-9H,2-6H2,1H3
InChIKeyBVDYRUKMYLQGEY-UHFFFAOYSA-N
XLogP0.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine with MolForge

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Related Compounds

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(4aR,10bR)-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinoline;hydrochloride
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3-(1-methylpyrrolidin-3-yl)pyridazine
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(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
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(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887
2-amino-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-yl)propanamide
CID 170168101
4-methyl-3-[1-(2-phenylcyclopropyl)sulfonylpyrrolidin-3-yl]-1,2,4-triazole
CID 166316451
1,3,6-trimethyl-4a,5,7,8,8a,9-hexahydro-4H-pyrazolo[5,4-g]isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine?
The IUPAC name of 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine (CID 129261943) is 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine.
What is the SMILES notation for 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine?
The canonical SMILES for 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine is CN1CCC2c3nncn3CCC2C1.
What is the InChIKey of 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine?
The InChIKey is BVDYRUKMYLQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-13-4-3-9-8(6-13)2-5-14-7-11-12-10(9)14/h7-9H,2-6H2,1H3.
What are the key properties of 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine?
8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine has a molecular weight of 192.27 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6,6a,7,9,10,10a-hexahydro-5H-[1,2,4]triazolo[3,4-a][2,6]naphthyridine is sourced from PubChem (CID 129261943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).