2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

C15H20N4 — CID 64815657

IUPAC2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCc1nnc(C2CCCCC2N)n1-c1ccccc1
InChIInChI=1S/C15H20N4/c1-11-17-18-15(13-9-5-6-10-14(13)16)19(11)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10,16H2,1H3
InChIKeyCOPSNZSYZQTRNS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.56
Rot. Bonds2

About 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 64815657) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID64815657
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCc1nnc(C2CCCCC2N)n1-c1ccccc1
InChIInChI=1S/C15H20N4/c1-11-17-18-15(13-9-5-6-10-14(13)16)19(11)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10,16H2,1H3
InChIKeyCOPSNZSYZQTRNS-UHFFFAOYSA-N
XLogP2.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{2-[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1-(2-methylcyclohexyl)urea
CID 134817254
3-{2-[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)oxy]ethyl}-1-(2-methylcyclohexyl)urea
CID 138674555
1-[3-(5-Cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea
CID 138674558
N-{[2-(3,5-Dimethyl-4h-1,2,4-Triazol-4-Yl)phenyl]methyl}acetamide
CID 131633051
1-[3-[5-Cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-3-(2-methylcyclohexyl)urea
CID 156015067
N,N-dimethyl-2-(6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethanamine
CID 12612419
4H-s-Triazolo(4,3-a)(1,5)benzodiazepine, 5,6-dihydro-4-methyl-1-phenyl-
CID 3041413
2-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 853537
2-[(5-cyclohexyl-1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-amine
CID 2421311
4-[5-Ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-1-phenylpiperidine
CID 71762537
1-[5-Ethyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]-4-phenylpiperidine
CID 71762538
N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)phenyl]methyl]methanesulfonamide
CID 155523418

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 64815657) is 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is Cc1nnc(C2CCCCC2N)n1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is COPSNZSYZQTRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-17-18-15(13-9-5-6-10-14(13)16)19(11)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10,16H2,1H3.
What are the key properties of 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 64815657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).