4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine

C20H30N4O — CID 142544460

IUPAC4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCC(C)c1cccc(O[C@H](C)c2nnc(C3CCC(N)CC3)n2C)c1
InChIInChI=1S/C20H30N4O/c1-13(2)16-6-5-7-18(12-16)25-14(3)19-22-23-20(24(19)4)15-8-10-17(21)11-9-15/h5-7,12-15,17H,8-11,21H2,1-4H3/t14-,15?,17?/m1/s1
InChIKeyTYUTWTCKBYSQAT-HPUBIQBYSA-N
MW342.49 g/mol
LogP4.06
Rot. Bonds5

About 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine

4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine (PubChem CID 142544460) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine
PubChem CID142544460
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCC(C)c1cccc(O[C@H](C)c2nnc(C3CCC(N)CC3)n2C)c1
InChIInChI=1S/C20H30N4O/c1-13(2)16-6-5-7-18(12-16)25-14(3)19-22-23-20(24(19)4)15-8-10-17(21)11-9-15/h5-7,12-15,17H,8-11,21H2,1-4H3/t14-,15?,17?/m1/s1
InChIKeyTYUTWTCKBYSQAT-HPUBIQBYSA-N
XLogP4.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-azidocyclohexyl)-4-methyl-5-[1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazole
CID 154995557
N-(4-aminocyclohexyl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 119475379
1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one
CID 92925662
3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole
CID 55182936
3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole
CID 168894229
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119572861
1-[4-methyl-5-(1-naphthalen-2-yloxyethyl)-1,2,4-triazol-3-yl]azepane
CID 167757747
methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate
CID 23961348
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide
CID 75447582
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
2-[[4-methyl-5-[1-(4-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6465346

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine (CID 142544460) is 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine is CC(C)c1cccc(O[C@H](C)c2nnc(C3CCC(N)CC3)n2C)c1.
What is the InChIKey of 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The InChIKey is TYUTWTCKBYSQAT-HPUBIQBYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-13(2)16-6-5-7-18(12-16)25-14(3)19-22-23-20(24(19)4)15-8-10-17(21)11-9-15/h5-7,12-15,17H,8-11,21H2,1-4H3/t14-,15?,17?/m1/s1.
What are the key properties of 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine?
4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine has a molecular weight of 342.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 142544460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).