3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole

C12H21N3 — CID 61337747

IUPAC3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole
SMILESCC(C)Cc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C12H21N3/c1-9(2)8-11-13-12(15-14-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyQYIDORAPXRPRLW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.05
Rot. Bonds3

About 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole

3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole (PubChem CID 61337747) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole
PubChem CID61337747
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole
SMILESCC(C)Cc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C12H21N3/c1-9(2)8-11-13-12(15-14-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyQYIDORAPXRPRLW-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole
CID 112602960
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898
3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
CID 61337738
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 61338736
3-cyclohexyl-5-nonyl-1H-1,2,4-triazole
CID 65427882
3-cyclopentyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazole
CID 112602957
3-cyclohexyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338132
3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole
CID 103020826
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
CID 61338730
4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 79606608
4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
CID 61338891

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole (CID 61337747) is 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole is CC(C)Cc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole?
The InChIKey is QYIDORAPXRPRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)8-11-13-12(15-14-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole?
3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole has a molecular weight of 207.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61337747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).