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

C14H21N5 — CID 61336569

IUPAC5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
SMILESCc1nn(C)c(C)c1-c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C14H21N5/c1-9-12(10(2)19(3)18-9)14-15-13(16-17-14)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyRIEHLMQGUUQVFN-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.87
Rot. Bonds2

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

5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole (PubChem CID 61336569) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
PubChem CID61336569
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole
SMILESCc1nn(C)c(C)c1-c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C14H21N5/c1-9-12(10(2)19(3)18-9)14-15-13(16-17-14)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyRIEHLMQGUUQVFN-UHFFFAOYSA-N
XLogP2.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole (CID 61336569) is 5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole is Cc1nn(C)c(C)c1-c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole?
The InChIKey is RIEHLMQGUUQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-12(10(2)19(3)18-9)14-15-13(16-17-14)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole?
5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole has a molecular weight of 259.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 61336569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).