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

C12H21N3O — CID 112602960

IUPAC3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole
SMILESCC(C)OCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C12H21N3O/c1-9(2)16-8-11-13-12(15-14-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyKBXIPWLTFNNEDW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.78
Rot. Bonds4

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

3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole (PubChem CID 112602960) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole
PubChem CID112602960
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole
SMILESCC(C)OCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C12H21N3O/c1-9(2)16-8-11-13-12(15-14-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyKBXIPWLTFNNEDW-UHFFFAOYSA-N
XLogP2.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-5-(methoxymethyl)-1H-1,2,4-triazole
CID 61337738
3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 61337747
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898
3-cyclopentyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazole
CID 112602957
3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole
CID 103020826
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
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-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82463437
3-cyclohexyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338132

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole (CID 112602960) is 3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole is CC(C)OCc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole?
The InChIKey is KBXIPWLTFNNEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)16-8-11-13-12(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-(propan-2-yloxymethyl)-1H-1,2,4-triazole?
3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole has a molecular weight of 223.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 112602960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).