3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide

C14H17N5O4 — CID 17177286

IUPAC3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C14H17N5O4/c1-5-6-19-17-14(16-18-19)15-13(20)9-7-10(21-2)12(23-4)11(8-9)22-3/h5,7-8H,1,6H2,2-4H3,(H,15,17,20)
InChIKeyHHNRSOTYHZRMOO-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.14
Rot. Bonds7

About 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide

3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide (PubChem CID 17177286) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
PubChem CID17177286
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide
SMILESC=CCn1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C14H17N5O4/c1-5-6-19-17-14(16-18-19)15-13(20)9-7-10(21-2)12(23-4)11(8-9)22-3/h5,7-8H,1,6H2,2-4H3,(H,15,17,20)
InChIKeyHHNRSOTYHZRMOO-UHFFFAOYSA-N
XLogP1.14
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide (CID 17177286) is 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide is C=CCn1nnc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
The InChIKey is HHNRSOTYHZRMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-5-6-19-17-14(16-18-19)15-13(20)9-7-10(21-2)12(23-4)11(8-9)22-3/h5,7-8H,1,6H2,2-4H3,(H,15,17,20).
What are the key properties of 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide?
3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide has a molecular weight of 319.32 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-prop-2-enyltetrazol-5-yl)benzamide is sourced from PubChem (CID 17177286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).