3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide

C12H13N5O2 — CID 17177264

IUPAC3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C12H13N5O2/c1-3-7-17-15-12(14-16-17)13-11(18)9-5-4-6-10(8-9)19-2/h3-6,8H,1,7H2,2H3,(H,13,15,18)
InChIKeySPCABPAMDDCBRY-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.12
Rot. Bonds5

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

3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide (PubChem CID 17177264) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
PubChem CID17177264
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C12H13N5O2/c1-3-7-17-15-12(14-16-17)13-11(18)9-5-4-6-10(8-9)19-2/h3-6,8H,1,7H2,2H3,(H,13,15,18)
InChIKeySPCABPAMDDCBRY-UHFFFAOYSA-N
XLogP1.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-prop-2-enyltetrazol-5-yl)pyridine-3-carboxamide
CID 17027338
3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177253
4-propan-2-yloxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177283
4-chloro-3-nitro-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177304
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 969050
N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methoxybenzamide
CID 86643870
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-prop-2-enyltetrazol-5-yl)acetamide
CID 17027341
3-methoxy-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
CID 134113602
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-butan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 3338872
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The IUPAC name of 3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide (CID 17177264) is 3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide is C=CCn1nnc(NC(=O)c2cccc(OC)c2)n1.
What is the InChIKey of 3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The InChIKey is SPCABPAMDDCBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-3-7-17-15-12(14-16-17)13-11(18)9-5-4-6-10(8-9)19-2/h3-6,8H,1,7H2,2H3,(H,13,15,18).
What are the key properties of 3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide has a molecular weight of 259.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide is sourced from PubChem (CID 17177264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).