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

C13H21N3 — CID 103164429

IUPAC5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
SMILESC1CCC(c2n[nH]c(CC3CCC3)n2)CC1
InChIInChI=1S/C13H21N3/c1-2-7-11(8-3-1)13-14-12(15-16-13)9-10-5-4-6-10/h10-11H,1-9H2,(H,14,15,16)
InChIKeyIXSVEDCTIKTKBX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.19
Rot. Bonds3

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

5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole (PubChem CID 103164429) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
PubChem CID103164429
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole
SMILESC1CCC(c2n[nH]c(CC3CCC3)n2)CC1
InChIInChI=1S/C13H21N3/c1-2-7-11(8-3-1)13-14-12(15-16-13)9-10-5-4-6-10/h10-11H,1-9H2,(H,14,15,16)
InChIKeyIXSVEDCTIKTKBX-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperidine
CID 79606608
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]azepane
CID 84686106
(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methanol
CID 61338898
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-5-nonyl-1H-1,2,4-triazole
CID 65427882
3-chloro-5-(cyclopentylmethyl)-1H-1,2,4-triazole
CID 130848106
3-cyclohexyl-5-(propan-2-yloxymethyl)-1H-1,2,4-triazole
CID 112602960
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-propylpiperidine
CID 50957153
4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
CID 61338891
1-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]piperazine
CID 55058169
3-cyclohexyl-5-(2-phenylethyl)-1H-1,2,4-triazole
CID 61338132

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole?
The IUPAC name of 5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole (CID 103164429) is 5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole is C1CCC(c2n[nH]c(CC3CCC3)n2)CC1.
What is the InChIKey of 5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole?
The InChIKey is IXSVEDCTIKTKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-7-11(8-3-1)13-14-12(15-16-13)9-10-5-4-6-10/h10-11H,1-9H2,(H,14,15,16).
What are the key properties of 5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole?
5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole has a molecular weight of 219.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-3-cyclohexyl-1H-1,2,4-triazole is sourced from PubChem (CID 103164429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).