6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

C12H17N5O2 — CID 115348360

IUPAC6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESO=C1CCC2CN(C(=O)Cn3ccnn3)CCC2N1
InChIInChI=1S/C12H17N5O2/c18-11-2-1-9-7-16(5-3-10(9)14-11)12(19)8-17-6-4-13-15-17/h4,6,9-10H,1-3,5,7-8H2,(H,14,18)
InChIKeyYGXQGFQJSCFDCE-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.59
Rot. Bonds2

About 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one

6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (PubChem CID 115348360) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
PubChem CID115348360
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
SMILESO=C1CCC2CN(C(=O)Cn3ccnn3)CCC2N1
InChIInChI=1S/C12H17N5O2/c18-11-2-1-9-7-16(5-3-10(9)14-11)12(19)8-17-6-4-13-15-17/h4,6,9-10H,1-3,5,7-8H2,(H,14,18)
InChIKeyYGXQGFQJSCFDCE-UHFFFAOYSA-N
XLogP-0.59
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one with MolForge

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Related Compounds

4-[2-(triazol-1-yl)acetyl]piperazine-2,6-dione
CID 115348358
6-(5-oxopyrrolidine-3-carbonyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 83193225
1-[3-(aminomethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81479505
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 81487187
6-(5-amino-4-methylpentanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 82688906
6-(2-sulfanylpropanoyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 107033206
(2S)-2-hydroxy-4-[(2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)amino]butanoic acid
CID 107840639
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 127415975
ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate
CID 79806253
1-[4-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-(triazol-1-yl)ethanone
CID 74243719
N-methyl-2-oxo-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbothioamide
CID 116509600
N-(2,6-dioxopiperidin-3-yl)-2-(triazol-1-yl)acetamide
CID 113276448

Frequently Asked Questions

What is the IUPAC name of 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one (CID 115348360) is 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is O=C1CCC2CN(C(=O)Cn3ccnn3)CCC2N1.
What is the InChIKey of 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
The InChIKey is YGXQGFQJSCFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-11-2-1-9-7-16(5-3-10(9)14-11)12(19)8-17-6-4-13-15-17/h4,6,9-10H,1-3,5,7-8H2,(H,14,18).
What are the key properties of 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one?
6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(triazol-1-yl)acetyl]-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 115348360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).