cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

C16H24N4O2 — CID 71928750

IUPACcyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)C3CC=CCC3)CCO2)n1
InChIInChI=1S/C16H24N4O2/c1-11(2)14-17-15(19-18-14)13-10-20(8-9-22-13)16(21)12-6-4-3-5-7-12/h3-4,11-13H,5-10H2,1-2H3,(H,17,18,19)
InChIKeyIKTZVLDMLZNXRZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.18
Rot. Bonds3

About cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone

cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (PubChem CID 71928750) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
PubChem CID71928750
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Namecyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)C3CC=CCC3)CCO2)n1
InChIInChI=1S/C16H24N4O2/c1-11(2)14-17-15(19-18-14)13-10-20(8-9-22-13)16(21)12-6-4-3-5-7-12/h3-4,11-13H,5-10H2,1-2H3,(H,17,18,19)
InChIKeyIKTZVLDMLZNXRZ-UHFFFAOYSA-N
XLogP2.18
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.18
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 cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone (CID 71928750) is cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is CC(C)c1n[nH]c(C2CN(C(=O)C3CC=CCC3)CCO2)n1.
What is the InChIKey of cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is IKTZVLDMLZNXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)14-17-15(19-18-14)13-10-20(8-9-22-13)16(21)12-6-4-3-5-7-12/h3-4,11-13H,5-10H2,1-2H3,(H,17,18,19).
What are the key properties of cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone?
cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 71928750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).