N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide

C12H14N6O3 — CID 135721024

IUPACN-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2nn[nH]n2)c(O)c(C(=O)N(C)C)c1
InChIInChI=1S/C12H14N6O3/c1-6-4-7(12(21)18(2)3)9(19)8(5-6)13-11(20)10-14-16-17-15-10/h4-5,19H,1-3H3,(H,13,20)(H,14,15,16,17)
InChIKeyGBVDRUVQAMNNQI-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.17
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide

N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide (PubChem CID 135721024) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide
PubChem CID135721024
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC NameN-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2nn[nH]n2)c(O)c(C(=O)N(C)C)c1
InChIInChI=1S/C12H14N6O3/c1-6-4-7(12(21)18(2)3)9(19)8(5-6)13-11(20)10-14-16-17-15-10/h4-5,19H,1-3H3,(H,13,20)(H,14,15,16,17)
InChIKeyGBVDRUVQAMNNQI-UHFFFAOYSA-N
XLogP0.17
TPSA124.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetyl-2-hydroxy-5-methylphenyl)-2H-tetrazole-5-carboxamide
CID 135721012
N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide
CID 135721018
2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide
CID 135703080
N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide
CID 104668311
5-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 169344364
disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride
CID 173450412
N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 107577373
N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-iodo-2-methylphenyl]-2H-tetrazole-5-carboxamide
CID 19851951
N-methyl-N-pyridin-4-yl-2H-tetrazole-5-carboxamide
CID 106936756
disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride
CID 173450419
N-(thiadiazol-5-yl)-2H-tetrazole-5-carboxamide
CID 114913673
2-hydroxy-N,N,3-trimethyl-5-[(2,4,6-trimethylphenyl)methyl]benzamide
CID 20650419

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide (CID 135721024) is N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide is Cc1cc(NC(=O)c2nn[nH]n2)c(O)c(C(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide?
The InChIKey is GBVDRUVQAMNNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-6-4-7(12(21)18(2)3)9(19)8(5-6)13-11(20)10-14-16-17-15-10/h4-5,19H,1-3H3,(H,13,20)(H,14,15,16,17).
What are the key properties of N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide?
N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 135721024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).