3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide

C13H15N5O — CID 17177253

IUPAC3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C13H15N5O/c1-4-5-18-16-13(15-17-18)14-12(19)11-7-9(2)6-10(3)8-11/h4,6-8H,1,5H2,2-3H3,(H,14,16,19)
InChIKeyGYYDCYOWSHZIKG-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.73
Rot. Bonds4

About 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide

3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide (PubChem CID 17177253) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
PubChem CID17177253
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C13H15N5O/c1-4-5-18-16-13(15-17-18)14-12(19)11-7-9(2)6-10(3)8-11/h4,6-8H,1,5H2,2-3H3,(H,14,16,19)
InChIKeyGYYDCYOWSHZIKG-UHFFFAOYSA-N
XLogP1.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177286
3,4-dichloro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177274
3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177264
4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177283
3-bromo-4-ethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177279
4-chloro-3-nitro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177304
3,5-dibromo-2-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177288
N-(2-prop-2-enyltetrazol-5-yl)hexanamide
CID 17177295
3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide
CID 104852902
5-(3,4-dichlorophenyl)-N-(2-prop-2-enyltetrazol-5-yl)furan-2-carboxamide
CID 17027340
2-(4-chloro-3-methylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
CID 17177374
3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538560

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide (CID 17177253) is 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide is C=CCn1nnc(NC(=O)c2cc(C)cc(C)c2)n1.
What is the InChIKey of 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The InChIKey is GYYDCYOWSHZIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-4-5-18-16-13(15-17-18)14-12(19)11-7-9(2)6-10(3)8-11/h4,6-8H,1,5H2,2-3H3,(H,14,16,19).
What are the key properties of 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide has a molecular weight of 257.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide is sourced from PubChem (CID 17177253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).