N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide

C12H20N4O — CID 121315589

IUPACN-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2nnc(C)n2C)CC1
InChIInChI=1S/C12H20N4O/c1-8-14-15-12(16(8)3)10-4-6-11(7-5-10)13-9(2)17/h10-11H,4-7H2,1-3H3,(H,13,17)
InChIKeyZENATUVDUDDGBI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.29
Rot. Bonds2

About N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide

N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide (PubChem CID 121315589) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide
PubChem CID121315589
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2nnc(C)n2C)CC1
InChIInChI=1S/C12H20N4O/c1-8-14-15-12(16(8)3)10-4-6-11(7-5-10)13-9(2)17/h10-11H,4-7H2,1-3H3,(H,13,17)
InChIKeyZENATUVDUDDGBI-UHFFFAOYSA-N
XLogP1.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451347
N-cyclohexyl-3-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propanamide
CID 53599636
({5-[1-(aminoacetyl)-4-piperidinyl]-4-cyclopropyl-4H-1,2,4-triazol-3-yl}methyl)dimethylamine dihydrochloride
CID 70731082
N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 110196048
2-(3-cyano-1,2,4-triazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 45803455
N~2~-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-N~1~,N~2~-dimethylglycinamide
CID 91766989
(3R)-N-cyclohexyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 164633315
N-[(1S,3R)-3-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]cyclohexyl]acetamide
CID 69756727
2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 56780121
4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 75505744
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 86790033
N-[[7-(cyclohexylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
CID 42167106

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide?
The IUPAC name of N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide (CID 121315589) is N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide is CC(=O)NC1CCC(c2nnc(C)n2C)CC1.
What is the InChIKey of N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide?
The InChIKey is ZENATUVDUDDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-14-15-12(16(8)3)10-4-6-11(7-5-10)13-9(2)17/h10-11H,4-7H2,1-3H3,(H,13,17).
What are the key properties of N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide?
N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexyl]acetamide is sourced from PubChem (CID 121315589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).