N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide

C10H8FN5O3 — CID 81311222

IUPACN-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2c(F)cccc2[N+](=O)[O-])n[nH]1
InChIInChI=1S/C10H8FN5O3/c1-5-12-9(15-14-5)10(17)13-8-6(11)3-2-4-7(8)16(18)19/h2-4H,1H3,(H,13,17)(H,12,14,15)
InChIKeyUHVJDPHLYBCBAF-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.41
Rot. Bonds3

About N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide

N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 81311222) has the molecular formula C10H8FN5O3 and a molecular weight of 265.20 g/mol. Its IUPAC name is N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID81311222
Molecular FormulaC10H8FN5O3
Molecular Weight265.20 g/mol
Exact Mass265.06
IUPAC NameN-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2c(F)cccc2[N+](=O)[O-])n[nH]1
InChIInChI=1S/C10H8FN5O3/c1-5-12-9(15-14-5)10(17)13-8-6(11)3-2-4-7(8)16(18)19/h2-4H,1H3,(H,13,17)(H,12,14,15)
InChIKeyUHVJDPHLYBCBAF-UHFFFAOYSA-N
XLogP1.41
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(2-fluoro-6-nitrophenyl)-2H-triazole-4-carboxamide
CID 81311368
N-(2-fluoro-6-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81307188
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103029215
5-bromo-N-(2-fluoro-6-nitrophenyl)thiophene-2-carboxamide
CID 81311760
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310717
5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide
CID 107856982
2-[2-(2-fluoro-6-nitroanilino)-2-oxoethoxy]acetic acid
CID 81309953
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744
2-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-nitroaniline
CID 81310700
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-fluoro-6-nitroaniline
CID 81310437
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81313064

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CID 81311222) is N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2c(F)cccc2[N+](=O)[O-])n[nH]1.
What is the InChIKey of N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is UHVJDPHLYBCBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5O3/c1-5-12-9(15-14-5)10(17)13-8-6(11)3-2-4-7(8)16(18)19/h2-4H,1H3,(H,13,17)(H,12,14,15).
What are the key properties of N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 265.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 81311222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).