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

C8H7N5O — CID 569479

IUPACN-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C8H7N5O/c14-7(6-4-2-1-3-5-6)9-8-10-12-13-11-8/h1-5H,(H2,9,10,11,12,13,14)
InChIKeyPLTCINJSRCMVPL-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.45
Rot. Bonds2

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

N-(2H-tetrazol-5-yl)benzamide (PubChem CID 569479) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)benzamide
PubChem CID569479
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC NameN-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C8H7N5O/c14-7(6-4-2-1-3-5-6)9-8-10-12-13-11-8/h1-5H,(H2,9,10,11,12,13,14)
InChIKeyPLTCINJSRCMVPL-UHFFFAOYSA-N
XLogP0.45
TPSA83.56 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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(2H-tetrazol-5-yl)benzamide (CID 569479) is N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1ccccc1.
What is the InChIKey of N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is PLTCINJSRCMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c14-7(6-4-2-1-3-5-6)9-8-10-12-13-11-8/h1-5H,(H2,9,10,11,12,13,14).
What are the key properties of N-(2H-tetrazol-5-yl)benzamide?
N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 189.18 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 569479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).