sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide

C10H10N4NaO2+ — CID 54608700

IUPACsodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide
SMILESCc1ccc(-n2[nH]nc(C(N)=O)c2=O)cc1.[Na+]
InChIInChI=1S/C10H10N4O2.Na/c1-6-2-4-7(5-3-6)14-10(16)8(9(11)15)12-13-14;/h2-5,13H,1H3,(H2,11,15);/q;+1
InChIKeyUCHQMEFCVZYJIM-UHFFFAOYSA-N
MW241.21 g/mol
LogP-3.03
Rot. Bonds2

About sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide

sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide (PubChem CID 54608700) has the molecular formula C10H10N4NaO2+ and a molecular weight of 241.21 g/mol. Its IUPAC name is sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide.

Molecular Properties

Compound Namesodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide
PubChem CID54608700
Molecular FormulaC10H10N4NaO2+
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Namesodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide
SMILESCc1ccc(-n2[nH]nc(C(N)=O)c2=O)cc1.[Na+]
InChIInChI=1S/C10H10N4O2.Na/c1-6-2-4-7(5-3-6)14-10(16)8(9(11)15)12-13-14;/h2-5,13H,1H3,(H2,11,15);/q;+1
InChIKeyUCHQMEFCVZYJIM-UHFFFAOYSA-N
XLogP-3.03
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-3.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-bis(4-methylphenyl)-5-oxo-2H-triazole-4-carboximidate
CID 135482464
ethyl 1-(4-chlorophenyl)-5-oxo-2H-triazole-4-carboxylate
CID 2738965
N-methyl-5-[1-(4-methylphenyl)-5-oxo-2H-triazol-4-yl]thiadiazole-4-carboxamide
CID 135800525
2-methyl-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960121
1-(3-methoxyphenyl)-5-oxo-2H-triazole-4-carboxylic acid
CID 23008892
5-(4-methylanilino)-2H-triazole-4-carboxamide
CID 45496899
ethyl 1-[(4-methylphenyl)methyl]-5-oxo-2H-triazole-4-carboxylate
CID 159608029
4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 11379910
2-(6-bromo-2-pyridinyl)-7-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 158874870
ethyl 2-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]acetate
CID 125453865
methyl 1-[(4-methylphenyl)methyl]-5-oxo-2H-triazole-4-carboxylate
CID 94830102
3-(2,4-dihydroxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 174927871

Frequently Asked Questions

What is the IUPAC name of sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide?
The IUPAC name of sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide (CID 54608700) is sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide.
What is the SMILES notation for sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide?
The canonical SMILES for sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide is Cc1ccc(-n2[nH]nc(C(N)=O)c2=O)cc1.[Na+].
What is the InChIKey of sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide?
The InChIKey is UCHQMEFCVZYJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2.Na/c1-6-2-4-7(5-3-6)14-10(16)8(9(11)15)12-13-14;/h2-5,13H,1H3,(H2,11,15);/q;+1.
What are the key properties of sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide?
sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide has a molecular weight of 241.21 g/mol, XLogP of -3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-(4-methylphenyl)-5-oxo-2H-triazole-4-carboxamide is sourced from PubChem (CID 54608700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).