3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole

C12H21N3 — CID 168894229

IUPAC3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(C2CCCCC2)n1C
InChIInChI=1S/C12H21N3/c1-9(2)11-13-14-12(15(11)3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyLMEPETMLBSYQEQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.99
Rot. Bonds2

About 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole

3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 168894229) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole
PubChem CID168894229
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(C2CCCCC2)n1C
InChIInChI=1S/C12H21N3/c1-9(2)11-13-14-12(15(11)3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyLMEPETMLBSYQEQ-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclododecyl-4-methyl-1,2,4-triazol-3-yl)ethane-1,2-dithiol
CID 88791364
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 75504251
3-(chloromethyl)-5-cycloheptyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115398555
4-[4-methyl-5-[(1R)-1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 142544460
2-cyclohexyl-5-propan-2-yl-3-propylimidazol-4-amine
CID 55048700
3-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-4-methyl-5-propan-2-yl-1,2,4-triazole
CID 86803145
3-cycloheptyl-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389396
3-cyclohexyl-4-methyl-1H-1,2,4-triazol-5-one
CID 126953783
3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395572
3-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-(3-methylbutyl)amino]propanenitrile
CID 75454000
3-(5-cyclooctyltetrazol-1-yl)-2-methylpropanoic acid
CID 66047218

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole (CID 168894229) is 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole is CC(C)c1nnc(C2CCCCC2)n1C.
What is the InChIKey of 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is LMEPETMLBSYQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)11-13-14-12(15(11)3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole?
3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 207.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 168894229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).