N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide

C11H16Cl2N4O — CID 9420969

IUPACN-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1nc(Cl)nc1Cl)C1CCCCC1
InChIInChI=1S/C11H16Cl2N4O/c1-16(8-5-3-2-4-6-8)9(18)7-17-11(13)14-10(12)15-17/h8H,2-7H2,1H3
InChIKeyJCZHKMCDDYHBRU-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.38
Rot. Bonds3

About N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide

N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide (PubChem CID 9420969) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide
PubChem CID9420969
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC NameN-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1nc(Cl)nc1Cl)C1CCCCC1
InChIInChI=1S/C11H16Cl2N4O/c1-16(8-5-3-2-4-6-8)9(18)7-17-11(13)14-10(12)15-17/h8H,2-7H2,1H3
InChIKeyJCZHKMCDDYHBRU-UHFFFAOYSA-N
XLogP2.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(piperidin-1-yl)ethanone
CID 656255
N-Cyclohexyl-N-methyl-2-(3-nitro-[1,2,4]triazol-1-yl)-acetamide
CID 749658
N-cyclohexyl-2-(3,5-dibromo-1,2,4-triazol-1-yl)-N-methylacetamide
CID 9420666
2-(3,5-Dichloro-1,2,4-triazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 9420895
1-(Azepan-1-yl)-2-(3,5-dichloro-1,2,4-triazol-1-yl)ethanone
CID 9420904
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 9421024
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 9421029
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 9421032
N-cyclohexyl-2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)acetamide
CID 16484701
N-cycloheptyl-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 40091818
N-methyl-N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 40140293
1-(2-Ethylpiperidin-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone
CID 45095445

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide (CID 9420969) is N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide is CN(C(=O)Cn1nc(Cl)nc1Cl)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide?
The InChIKey is JCZHKMCDDYHBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4O/c1-16(8-5-3-2-4-6-8)9(18)7-17-11(13)14-10(12)15-17/h8H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide?
N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide has a molecular weight of 291.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dichloro-1,2,4-triazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 9420969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).