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

C10H16N4 — CID 138109379

IUPAC1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine
SMILESCc1nnc2n1C1CCNCC1CC2
InChIInChI=1S/C10H16N4/c1-7-12-13-10-3-2-8-6-11-5-4-9(8)14(7)10/h8-9,11H,2-6H2,1H3
InChIKeyLHKARNDNCUJTIN-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.68
Rot. Bonds

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

1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine (PubChem CID 138109379) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine.

Molecular Properties

Compound Name1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine
PubChem CID138109379
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine
SMILESCc1nnc2n1C1CCNCC1CC2
InChIInChI=1S/C10H16N4/c1-7-12-13-10-3-2-8-6-11-5-4-9(8)14(7)10/h8-9,11H,2-6H2,1H3
InChIKeyLHKARNDNCUJTIN-UHFFFAOYSA-N
XLogP0.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine?
The IUPAC name of 1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine (CID 138109379) is 1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine.
What is the SMILES notation for 1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine?
The canonical SMILES for 1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine is Cc1nnc2n1C1CCNCC1CC2.
What is the InChIKey of 1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine?
The InChIKey is LHKARNDNCUJTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7-12-13-10-3-2-8-6-11-5-4-9(8)14(7)10/h8-9,11H,2-6H2,1H3.
What are the key properties of 1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine?
1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine has a molecular weight of 192.27 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a][1,6]naphthyridine is sourced from PubChem (CID 138109379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).