3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide

C13H22N4O — CID 72921462

IUPAC3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ncnn1C1CCCCC1
InChIInChI=1S/C13H22N4O/c1-16(2)13(18)9-8-12-14-10-15-17(12)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyDTASZKXVGSIJPG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds4

About 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide

3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide (PubChem CID 72921462) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide
PubChem CID72921462
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1ncnn1C1CCCCC1
InChIInChI=1S/C13H22N4O/c1-16(2)13(18)9-8-12-14-10-15-17(12)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyDTASZKXVGSIJPG-UHFFFAOYSA-N
XLogP1.80
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-{3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-3-methyl-1-butanone
CID 91924099
1-[2-(1-cyclohexyl-1H-1,2,4-triazol-5-yl)ethyl]azepan-2-one
CID 72837808
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 129620296
1-(4-Oxo-4-piperidin-1-ylbutyl)-1,2,4-triazole-3-carbonitrile
CID 132381365
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(4-methyl-4H-1,2,4-triazol-3-yl)propanamide
CID 74244844
1-[(2S)-2-(1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 118359449
1-[4-(3-Methyl-1,2,4-triazol-4-yl)piperidin-1-yl]ethanone
CID 141199102
1-[4-(Dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 156840380
1-[4-(Dimethylamino)piperidin-1-yl]-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-one;dihydrochloride
CID 156840383
6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one
CID 168238848
6-[5-(1-Aminoethyl)-1,2,4-triazol-1-yl]-2-methyl-4,5-dihydropyridazin-3-one
CID 168917034
2-(3-cyano-1,2,4-triazol-1-yl)-N-cyclohexyl-N-propan-2-ylacetamide
CID 17455382

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide (CID 72921462) is 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ncnn1C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide?
The InChIKey is DTASZKXVGSIJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)13(18)9-8-12-14-10-15-17(12)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide?
3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-1,2,4-triazol-3-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 72921462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).