4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide

C9H10N6O — CID 70532578

IUPAC4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1cc(N)ccc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H10N6O/c1-5-4-6(10)2-3-7(5)8(16)11-9-12-14-15-13-9/h2-4H,10H2,1H3,(H2,11,12,13,14,15,16)
InChIKeyOOVBPXUVXZSOSK-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.34
Rot. Bonds2

About 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide

4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 70532578) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide
PubChem CID70532578
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1cc(N)ccc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H10N6O/c1-5-4-6(10)2-3-7(5)8(16)11-9-12-14-15-13-9/h2-4H,10H2,1H3,(H2,11,12,13,14,15,16)
InChIKeyOOVBPXUVXZSOSK-UHFFFAOYSA-N
XLogP0.34
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 135703076
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
CID 83108050
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
CID 10216768
CID 70476554
CID 70476554
5-fluoro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962771
6-amino-N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 13267897
2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide
CID 135703080
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzamide
CID 107843435
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide
CID 107211238
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzamide
CID 106095391
4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide (CID 70532578) is 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide is Cc1cc(N)ccc1C(=O)Nc1nn[nH]n1.
What is the InChIKey of 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is OOVBPXUVXZSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c1-5-4-6(10)2-3-7(5)8(16)11-9-12-14-15-13-9/h2-4H,10H2,1H3,(H2,11,12,13,14,15,16).
What are the key properties of 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide?
4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 218.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 70532578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).