3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide

C10H10N6O3 — CID 112557719

IUPAC3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C10H10N6O3/c1-5-2-3-7(16(18)19)6(4-5)12-9(17)8-13-10(11)15-14-8/h2-4H,1H3,(H,12,17)(H3,11,13,14,15)
InChIKeyOUQRKYKUMDKMQD-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.86
Rot. Bonds3

About 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 112557719) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID112557719
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C10H10N6O3/c1-5-2-3-7(16(18)19)6(4-5)12-9(17)8-13-10(11)15-14-8/h2-4H,1H3,(H,12,17)(H3,11,13,14,15)
InChIKeyOUQRKYKUMDKMQD-UHFFFAOYSA-N
XLogP0.86
TPSA139.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-chloro-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807360
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912666
2-amino-4-fluoro-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912695
2-amino-N-(5-methyl-2-nitrophenyl)butanamide
CID 112557726
1-amino-1-methyl-3-(5-methyl-2-nitrophenyl)thiourea
CID 117063123
6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 115912537
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
CID 112557772
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(5-methyl-2-nitrophenyl)cyclohexane-1-carboxamide
CID 88600402
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807916
N-(2-amino-4-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 20784983
3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807152

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide (CID 112557719) is 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide is Cc1ccc([N+](=O)[O-])c(NC(=O)c2nc(N)n[nH]2)c1.
What is the InChIKey of 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OUQRKYKUMDKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3/c1-5-2-3-7(16(18)19)6(4-5)12-9(17)8-13-10(11)15-14-8/h2-4H,1H3,(H,12,17)(H3,11,13,14,15).
What are the key properties of 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 112557719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).