3-[(5-methyltetrazol-2-yl)methyl]benzamide

C10H11N5O — CID 59058879

IUPAC3-[(5-methyltetrazol-2-yl)methyl]benzamide
SMILESCc1nnn(Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C10H11N5O/c1-7-12-14-15(13-7)6-8-3-2-4-9(5-8)10(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyTXIPCKXOWNFNIH-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.13
Rot. Bonds3

About 3-[(5-methyltetrazol-2-yl)methyl]benzamide

3-[(5-methyltetrazol-2-yl)methyl]benzamide (PubChem CID 59058879) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-[(5-methyltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(5-methyltetrazol-2-yl)methyl]benzamide
PubChem CID59058879
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3-[(5-methyltetrazol-2-yl)methyl]benzamide
SMILESCc1nnn(Cc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C10H11N5O/c1-7-12-14-15(13-7)6-8-3-2-4-9(5-8)10(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyTXIPCKXOWNFNIH-UHFFFAOYSA-N
XLogP0.13
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
CID 113340193
3-[(6-oxopyrimidin-1-yl)methyl]benzamide
CID 113257340
3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide
CID 145134299
3-[(4-methylindol-1-yl)methyl]benzamide
CID 116620217
3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide
CID 51096590
3-[(4-carbamoyl-5-methyltriazol-1-yl)methyl]benzoic acid
CID 82204374
3-(sulfanylmethyl)benzamide
CID 118350806
3-[[5-[[2-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]tetrazol-5-yl]methyl]tetrazol-2-yl]methyl]benzoic acid
CID 155193907
3-(2-methylpropyl)benzamide
CID 23130390
1-[(3-carbamoylphenyl)methyl]-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643384
3-[1-[(3-carbamoylphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460604
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyltetrazol-2-yl)methyl]benzamide?
The IUPAC name of 3-[(5-methyltetrazol-2-yl)methyl]benzamide (CID 59058879) is 3-[(5-methyltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[(5-methyltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-[(5-methyltetrazol-2-yl)methyl]benzamide is Cc1nnn(Cc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[(5-methyltetrazol-2-yl)methyl]benzamide?
The InChIKey is TXIPCKXOWNFNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-12-14-15(13-7)6-8-3-2-4-9(5-8)10(11)16/h2-5H,6H2,1H3,(H2,11,16).
What are the key properties of 3-[(5-methyltetrazol-2-yl)methyl]benzamide?
3-[(5-methyltetrazol-2-yl)methyl]benzamide has a molecular weight of 217.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 59058879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).