3-(2H-tetrazol-5-yl)benzamide

C8H7N5O — CID 7996515

IUPAC3-(2H-tetrazol-5-yl)benzamide
SMILESNC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H7N5O/c9-7(14)5-2-1-3-6(4-5)8-10-12-13-11-8/h1-4H,(H2,9,14)(H,10,11,12,13)
InChIKeyALCRPKOBTRZMPN-UHFFFAOYSA-N
MW189.18 g/mol
LogP-0.03
Rot. Bonds2

About 3-(2H-tetrazol-5-yl)benzamide

3-(2H-tetrazol-5-yl)benzamide (PubChem CID 7996515) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)benzamide
PubChem CID7996515
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name3-(2H-tetrazol-5-yl)benzamide
SMILESNC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C8H7N5O/c9-7(14)5-2-1-3-6(4-5)8-10-12-13-11-8/h1-4H,(H2,9,14)(H,10,11,12,13)
InChIKeyALCRPKOBTRZMPN-UHFFFAOYSA-N
XLogP-0.03
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-(2H-tetrazol-5-yl)benzamide (CID 7996515) is 3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-(2H-tetrazol-5-yl)benzamide is NC(=O)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is ALCRPKOBTRZMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c9-7(14)5-2-1-3-6(4-5)8-10-12-13-11-8/h1-4H,(H2,9,14)(H,10,11,12,13).
What are the key properties of 3-(2H-tetrazol-5-yl)benzamide?
3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 189.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 7996515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).