4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole

C14H23N3 — CID 164667290

IUPAC4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(C2CC2)n1C1CCCCC1
InChIInChI=1S/C14H23N3/c1-2-6-13-15-16-14(11-9-10-11)17(13)12-7-4-3-5-8-12/h11-12H,2-10H2,1H3
InChIKeyYFXLVBOMQXXKOG-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.61
Rot. Bonds4

About 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole

4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole (PubChem CID 164667290) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole
PubChem CID164667290
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(C2CC2)n1C1CCCCC1
InChIInChI=1S/C14H23N3/c1-2-6-13-15-16-14(11-9-10-11)17(13)12-7-4-3-5-8-12/h11-12H,2-10H2,1H3
InChIKeyYFXLVBOMQXXKOG-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hexazole
CID 3083863
3-Chloro-4,5-dicyclopropyl-4h-1,2,4-triazole
CID 63384839
2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 87052206
5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1H-1,2,4-triazole
CID 131941557
4-Cyclohexyl-3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazole
CID 59287295
3-(4-Fluorocyclohexyl)-4,5-dimethyl-1,2,4-triazole
CID 142265865
4-(4,4-Difluorocyclohexyl)-3-propan-2-yl-1,2,4-triazole
CID 146789585
3-Chloro-5-cyclopropyl-4-propyl-1,2,4-triazole
CID 63384392
3,4-Dicyclopropyl-5-(3-fluorocyclobutyl)-1,2,4-triazole
CID 90008789
N-cyclopropyl-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 53592591
4-Cyclohexyl-3-methyl-4H-1,2,4-triazole
CID 12158185
4-Cyclohexyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 15410228

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole?
The IUPAC name of 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole (CID 164667290) is 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole.
What is the SMILES notation for 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole?
The canonical SMILES for 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole is CCCc1nnc(C2CC2)n1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole?
The InChIKey is YFXLVBOMQXXKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-6-13-15-16-14(11-9-10-11)17(13)12-7-4-3-5-8-12/h11-12H,2-10H2,1H3.
What are the key properties of 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole?
4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole has a molecular weight of 233.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-cyclopropyl-5-propyl-1,2,4-triazole is sourced from PubChem (CID 164667290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).