5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole

C15H25N3 — CID 61338878

IUPAC5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole
SMILESCCCCC1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H25N3/c1-2-3-4-11-5-7-12(8-6-11)14-16-15(18-17-14)13-9-10-13/h11-13H,2-10H2,1H3,(H,16,17,18)
InChIKeyMVZBHMYAOARACL-UHFFFAOYSA-N
MW247.39 g/mol
LogP4.15
Rot. Bonds5

About 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole

5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole (PubChem CID 61338878) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole
PubChem CID61338878
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole
SMILESCCCCC1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H25N3/c1-2-3-4-11-5-7-12(8-6-11)14-16-15(18-17-14)13-9-10-13/h11-13H,2-10H2,1H3,(H,16,17,18)
InChIKeyMVZBHMYAOARACL-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 18811364
5-(4-pentylcyclohexyl)-3-[3-[5-(4-pentylcyclohexyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529411
[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 65403012
2-[3-(4-propylcyclohexyl)-1H-1,2,4-triazol-5-yl]acetonitrile
CID 65402220
4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 61279978
3-chloro-5-(4-ethylcyclohexyl)-1H-1,2,4-triazole
CID 65390752
2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
CID 19839626
1-butyl-4-ethylcyclohexane;methane
CID 145295190
6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole
CID 64722722
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
5-(4-pentylcyclohexyl)-3H-1,3,4-oxadiazole-2-thione
CID 2763330
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole?
The IUPAC name of 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole (CID 61338878) is 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole is CCCCC1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole?
The InChIKey is MVZBHMYAOARACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-3-4-11-5-7-12(8-6-11)14-16-15(18-17-14)13-9-10-13/h11-13H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole?
5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole has a molecular weight of 247.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole is sourced from PubChem (CID 61338878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).