4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide

C17H21N5O2 — CID 19028659

IUPAC4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(C2=CCCCC2)c1=O)c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-13(2)20(14-9-5-3-6-10-14)16(23)22-17(24)21(18-19-22)15-11-7-4-8-12-15/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3
InChIKeyLCTQKPFLPZNWQO-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.74
Rot. Bonds3

About 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide

4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide (PubChem CID 19028659) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
PubChem CID19028659
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(C2=CCCCC2)c1=O)c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-13(2)20(14-9-5-3-6-10-14)16(23)22-17(24)21(18-19-22)15-11-7-4-8-12-15/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3
InChIKeyLCTQKPFLPZNWQO-UHFFFAOYSA-N
XLogP2.74
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The IUPAC name of 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide (CID 19028659) is 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide.
What is the SMILES notation for 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The canonical SMILES for 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide is CC(C)N(C(=O)n1nnn(C2=CCCCC2)c1=O)c1ccccc1.
What is the InChIKey of 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The InChIKey is LCTQKPFLPZNWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(2)20(14-9-5-3-6-10-14)16(23)22-17(24)21(18-19-22)15-11-7-4-8-12-15/h3,5-6,9-11,13H,4,7-8,12H2,1-2H3.
What are the key properties of 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide is sourced from PubChem (CID 19028659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).