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

C14H24N4 — CID 63145213

IUPAC5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole
SMILESCCC1(c2n[nH]c(C3CCCCC3)n2)CCNC1
InChIInChI=1S/C14H24N4/c1-2-14(8-9-15-10-14)13-16-12(17-18-13)11-6-4-3-5-7-11/h11,15H,2-10H2,1H3,(H,16,17,18)
InChIKeyBNLFBEDLAZFBNV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds3

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

5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole (PubChem CID 63145213) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole
PubChem CID63145213
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole
SMILESCCC1(c2n[nH]c(C3CCCCC3)n2)CCNC1
InChIInChI=1S/C14H24N4/c1-2-14(8-9-15-10-14)13-16-12(17-18-13)11-6-4-3-5-7-11/h11,15H,2-10H2,1H3,(H,16,17,18)
InChIKeyBNLFBEDLAZFBNV-UHFFFAOYSA-N
XLogP2.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole (CID 63145213) is 5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole is CCC1(c2n[nH]c(C3CCCCC3)n2)CCNC1.
What is the InChIKey of 5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole?
The InChIKey is BNLFBEDLAZFBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-14(8-9-15-10-14)13-16-12(17-18-13)11-6-4-3-5-7-11/h11,15H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole?
5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole has a molecular weight of 248.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(3-ethylpyrrolidin-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 63145213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).