N-(2-methyltetrazol-5-yl)benzamide

C9H9N5O — CID 953429

IUPACN-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C9H9N5O/c1-14-12-9(11-13-14)10-8(15)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12,15)
InChIKeyJNRPQAHDRWYUII-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.46
Rot. Bonds2

About N-(2-methyltetrazol-5-yl)benzamide

N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 953429) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyltetrazol-5-yl)benzamide
PubChem CID953429
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC NameN-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C9H9N5O/c1-14-12-9(11-13-14)10-8(15)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12,15)
InChIKeyJNRPQAHDRWYUII-UHFFFAOYSA-N
XLogP0.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of N-(2-methyltetrazol-5-yl)benzamide (CID 953429) is N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for N-(2-methyltetrazol-5-yl)benzamide is Cn1nnc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is JNRPQAHDRWYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-14-12-9(11-13-14)10-8(15)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12,15).
What are the key properties of N-(2-methyltetrazol-5-yl)benzamide?
N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 203.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 953429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).