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

C13H23N3O — CID 103020826

IUPAC3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole
SMILESCOC(C)(C)Cc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C13H23N3O/c1-13(2,17-3)9-11-14-12(16-15-11)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyNPKJQONPKYQOMW-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.82
Rot. Bonds4

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

3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole (PubChem CID 103020826) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole
PubChem CID103020826
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole
SMILESCOC(C)(C)Cc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C13H23N3O/c1-13(2,17-3)9-11-14-12(16-15-11)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyNPKJQONPKYQOMW-UHFFFAOYSA-N
XLogP2.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.82
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-cyclopentyl-5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazole
CID 112602957
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898
3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole
CID 112602960
3-cyclohexyl-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 61337747
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
CID 103164429
3-cyclohexyl-5-nonyl-1H-1,2,4-triazole
CID 65427882
1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
CID 55058169
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
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 61338736

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole (CID 103020826) is 3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole is COC(C)(C)Cc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole?
The InChIKey is NPKJQONPKYQOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,17-3)9-11-14-12(16-15-11)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole?
3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole has a molecular weight of 237.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 103020826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).