N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide

C12H13N5O3 — CID 135721018

IUPACN-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide
SMILESCCC(=O)c1cc(C)cc(NC(=O)c2nn[nH]n2)c1O
InChIInChI=1S/C12H13N5O3/c1-3-9(18)7-4-6(2)5-8(10(7)19)13-12(20)11-14-16-17-15-11/h4-5,19H,3H2,1-2H3,(H,13,20)(H,14,15,16,17)
InChIKeyCSBYYLOMXKCBLX-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.06
Rot. Bonds4

About N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide

N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide (PubChem CID 135721018) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide
PubChem CID135721018
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC NameN-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide
SMILESCCC(=O)c1cc(C)cc(NC(=O)c2nn[nH]n2)c1O
InChIInChI=1S/C12H13N5O3/c1-3-9(18)7-4-6(2)5-8(10(7)19)13-12(20)11-14-16-17-15-11/h4-5,19H,3H2,1-2H3,(H,13,20)(H,14,15,16,17)
InChIKeyCSBYYLOMXKCBLX-UHFFFAOYSA-N
XLogP1.06
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.06
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-[3-(dimethylcarbamoyl)-2-hydroxy-5-methylphenyl]-2H-tetrazole-5-carboxamide
CID 135721024
1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one
CID 71333475
2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide
CID 135703080
N-[5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-iodo-2-methylphenyl]-2H-tetrazole-5-carboxamide
CID 19851951
N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide
CID 104668311
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-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide
CID 114388978
2-bromo-5-(2H-tetrazole-5-carbonylamino)benzoic acid
CID 113281032
3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-2-hydroxy-5-methylbenzenesulfonic acid
CID 169345530
disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride
CID 173450419

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide (CID 135721018) is N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide is CCC(=O)c1cc(C)cc(NC(=O)c2nn[nH]n2)c1O.
What is the InChIKey of N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide?
The InChIKey is CSBYYLOMXKCBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-3-9(18)7-4-6(2)5-8(10(7)19)13-12(20)11-14-16-17-15-11/h4-5,19H,3H2,1-2H3,(H,13,20)(H,14,15,16,17).
What are the key properties of N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide?
N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methyl-3-propanoylphenyl)-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 135721018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).