2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide

C20H26N4O2 — CID 72939759

IUPAC2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(C2(c3nc(CC(N)=O)nn3C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-26-16-9-7-14(8-10-16)20(11-12-20)19-22-18(13-17(21)25)23-24(19)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H2,21,25)
InChIKeyPHJWVADEZNCYTL-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.90
Rot. Bonds6

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

2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 72939759) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID72939759
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(C2(c3nc(CC(N)=O)nn3C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-26-16-9-7-14(8-10-16)20(11-12-20)19-22-18(13-17(21)25)23-24(19)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H2,21,25)
InChIKeyPHJWVADEZNCYTL-UHFFFAOYSA-N
XLogP2.90
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-cyclohexyl-5-[(2,3,6-trimethylphenoxy)methyl]-1,2,4-triazol-3-yl]acetamide
CID 72892875
2-[1-cyclohexyl-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,4-triazol-3-yl]acetamide
CID 97269576
1-cyclohexyl-3-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazole
CID 167810339
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 30295515
4-[2-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]-1-methylpiperidin-4-ol
CID 72852719
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82567904
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
2-[5-[(1S,3S,4S)-4-amino-3-methoxycyclohexyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
CID 155498067
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 42190508

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide (CID 72939759) is 2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide is COc1ccc(C2(c3nc(CC(N)=O)nn3C3CCCCC3)CC2)cc1.
What is the InChIKey of 2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is PHJWVADEZNCYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-16-9-7-14(8-10-16)20(11-12-20)19-22-18(13-17(21)25)23-24(19)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H2,21,25).
What are the key properties of 2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-5-[1-(4-methoxyphenyl)cyclopropyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72939759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).