1-benzyltetrazole-5-carboxamide

C9H9N5O — CID 122714819

IUPAC1-benzyltetrazole-5-carboxamide
SMILESNC(=O)c1nnnn1Cc1ccccc1
InChIInChI=1S/C9H9N5O/c10-8(15)9-11-12-13-14(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,15)
InChIKeyWKGDGIVELBDODB-UHFFFAOYSA-N
MW203.21 g/mol
LogP-0.18
Rot. Bonds3

About 1-benzyltetrazole-5-carboxamide

1-benzyltetrazole-5-carboxamide (PubChem CID 122714819) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-benzyltetrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyltetrazole-5-carboxamide
PubChem CID122714819
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name1-benzyltetrazole-5-carboxamide
SMILESNC(=O)c1nnnn1Cc1ccccc1
InChIInChI=1S/C9H9N5O/c10-8(15)9-11-12-13-14(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,15)
InChIKeyWKGDGIVELBDODB-UHFFFAOYSA-N
XLogP-0.18
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid
CID 23354570
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-(1-benzyltetrazol-5-yl)-1-phenyl-2-(triphenyl-λ5-phosphanylidene)ethanone
CID 132934520
[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone
CID 12012844
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
1-benzyl-5-chlorotetrazole
CID 46835417
2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
4-[(5-benzyltetrazol-1-yl)methyl]benzoic acid
CID 82226211
ethyl 1-[[4-(hydroxymethyl)phenyl]methyl]tetrazole-5-carboxylate
CID 113365960
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
1-benzyl-5-(trichloromethyl)tetrazole
CID 69032127

Frequently Asked Questions

What is the IUPAC name of 1-benzyltetrazole-5-carboxamide?
The IUPAC name of 1-benzyltetrazole-5-carboxamide (CID 122714819) is 1-benzyltetrazole-5-carboxamide.
What is the SMILES notation for 1-benzyltetrazole-5-carboxamide?
The canonical SMILES for 1-benzyltetrazole-5-carboxamide is NC(=O)c1nnnn1Cc1ccccc1.
What is the InChIKey of 1-benzyltetrazole-5-carboxamide?
The InChIKey is WKGDGIVELBDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-8(15)9-11-12-13-14(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,15).
What are the key properties of 1-benzyltetrazole-5-carboxamide?
1-benzyltetrazole-5-carboxamide has a molecular weight of 203.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyltetrazole-5-carboxamide is sourced from PubChem (CID 122714819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).