1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine

C19H28N4O2 — CID 11450780

IUPAC1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine
SMILESCOc1cc(-c2nc(N)nn2CCC2CCCCC2)c(OC)cc1C
InChIInChI=1S/C19H28N4O2/c1-13-11-17(25-3)15(12-16(13)24-2)18-21-19(20)22-23(18)10-9-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H2,20,22)
InChIKeyVTYWQNVMKMXFTE-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.82
Rot. Bonds6

About 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine

1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine (PubChem CID 11450780) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine
PubChem CID11450780
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine
SMILESCOc1cc(-c2nc(N)nn2CCC2CCCCC2)c(OC)cc1C
InChIInChI=1S/C19H28N4O2/c1-13-11-17(25-3)15(12-16(13)24-2)18-21-19(20)22-23(18)10-9-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H2,20,22)
InChIKeyVTYWQNVMKMXFTE-UHFFFAOYSA-N
XLogP3.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine (CID 11450780) is 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine is COc1cc(-c2nc(N)nn2CCC2CCCCC2)c(OC)cc1C.
What is the InChIKey of 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is VTYWQNVMKMXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-11-17(25-3)15(12-16(13)24-2)18-21-19(20)22-23(18)10-9-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H2,20,22).
What are the key properties of 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine?
1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine has a molecular weight of 344.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-5-(2,5-dimethoxy-4-methylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 11450780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).