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

C10H11N5O — CID 653643

IUPAC4-methyl-N-(2-methyltetrazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C10H11N5O/c1-7-3-5-8(6-4-7)9(16)11-10-12-14-15(2)13-10/h3-6H,1-2H3,(H,11,13,16)
InChIKeyBCTCBVIEXIJXAF-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.77
Rot. Bonds2

About 4-methyl-N-(2-methyltetrazol-5-yl)benzamide

4-methyl-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 653643) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-methyl-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID653643
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-methyl-N-(2-methyltetrazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnn(C)n2)cc1
InChIInChI=1S/C10H11N5O/c1-7-3-5-8(6-4-7)9(16)11-10-12-14-15(2)13-10/h3-6H,1-2H3,(H,11,13,16)
InChIKeyBCTCBVIEXIJXAF-UHFFFAOYSA-N
XLogP0.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 4-methyl-N-(2-methyltetrazol-5-yl)benzamide (CID 653643) is 4-methyl-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-(2-methyltetrazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2nnn(C)n2)cc1.
What is the InChIKey of 4-methyl-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is BCTCBVIEXIJXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-3-5-8(6-4-7)9(16)11-10-12-14-15(2)13-10/h3-6H,1-2H3,(H,11,13,16).
What are the key properties of 4-methyl-N-(2-methyltetrazol-5-yl)benzamide?
4-methyl-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 217.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 653643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).