4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

C15H24N4O — CID 71928059

IUPAC4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(C3C=CCCC3)CCO2)n1
InChIInChI=1S/C15H24N4O/c1-11(2)14-16-15(18-17-14)13-10-19(8-9-20-13)12-6-4-3-5-7-12/h4,6,11-13H,3,5,7-10H2,1-2H3,(H,16,17,18)
InChIKeyBMWAGGQZTVBWKV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.41
Rot. Bonds3

About 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 71928059) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID71928059
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(C3C=CCCC3)CCO2)n1
InChIInChI=1S/C15H24N4O/c1-11(2)14-16-15(18-17-14)13-10-19(8-9-20-13)12-6-4-3-5-7-12/h4,6,11-13H,3,5,7-10H2,1-2H3,(H,16,17,18)
InChIKeyBMWAGGQZTVBWKV-UHFFFAOYSA-N
XLogP2.41
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (CID 71928059) is 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is CC(C)c1n[nH]c(C2CN(C3C=CCCC3)CCO2)n1.
What is the InChIKey of 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is BMWAGGQZTVBWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)14-16-15(18-17-14)13-10-19(8-9-20-13)12-6-4-3-5-7-12/h4,6,11-13H,3,5,7-10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 276.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 71928059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).