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

C9H9N5O — CID 23176761

IUPACN-(2H-tetrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C9H9N5O/c15-9(7-4-2-1-3-5-7)10-6-8-11-13-14-12-8/h1-5H,6H2,(H,10,15)(H,11,12,13,14)
InChIKeyOJHJZJXPAVTMHY-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.13
Rot. Bonds3

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

N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 23176761) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID23176761
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC NameN-(2H-tetrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C9H9N5O/c15-9(7-4-2-1-3-5-7)10-6-8-11-13-14-12-8/h1-5H,6H2,(H,10,15)(H,11,12,13,14)
InChIKeyOJHJZJXPAVTMHY-UHFFFAOYSA-N
XLogP0.13
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N'-hydroxycarbamimidoyl)-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 76927218
2-(2H-tetrazol-5-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615436
N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide
CID 78954261
4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112705937
4-(imidazol-1-ylamino)-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 167853636
1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106771195
5-(2H-tetrazol-5-ylmethylcarbamoyl)furan-3-carboxylic acid
CID 104607434
3-[2-(2H-tetrazol-5-yl)ethylcarbamoyl]benzoic acid
CID 166178543
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-carboxamide
CID 62239696
2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 103854330
3-chloro-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82781351

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)benzamide (CID 23176761) is N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)benzamide is O=C(NCc1nn[nH]n1)c1ccccc1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is OJHJZJXPAVTMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c15-9(7-4-2-1-3-5-7)10-6-8-11-13-14-12-8/h1-5H,6H2,(H,10,15)(H,11,12,13,14).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)benzamide?
N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 203.21 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 23176761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).