N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide

C10H9FN4O2 — CID 47339147

IUPACN-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn[nH]n2)cc1F
InChIInChI=1S/C10H9FN4O2/c1-17-9-3-2-6(4-7(9)11)13-10(16)8-5-12-15-14-8/h2-5H,1H3,(H,13,16)(H,12,14,15)
InChIKeyQDIWVPOPGRTLEC-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.20
Rot. Bonds3

About N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide

N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 47339147) has the molecular formula C10H9FN4O2 and a molecular weight of 236.21 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID47339147
Molecular FormulaC10H9FN4O2
Molecular Weight236.21 g/mol
Exact Mass236.07
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn[nH]n2)cc1F
InChIInChI=1S/C10H9FN4O2/c1-17-9-3-2-6(4-7(9)11)13-10(16)8-5-12-15-14-8/h2-5H,1H3,(H,13,16)(H,12,14,15)
InChIKeyQDIWVPOPGRTLEC-UHFFFAOYSA-N
XLogP1.20
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 14872469
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 900722
N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 973104
4-Amino-2-methyl-2H-pyrazole-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 913152
6-methyl-4-oxo-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
CID 71791856
1-methyl-N-(4-phenoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 45497230
N-(4-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 51031223
2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 51050540
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-2H-triazole-4-carboxamide
CID 71994056
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2H-triazole-4-carboxamide
CID 72011453
N-[2-(diaminomethylideneamino)ethyl]-1-(4-heptoxyphenyl)triazole-4-carboxamide;hydrochloride
CID 137647746
N-(2-aminoethyl)-1-(4-heptoxyphenyl)triazole-4-carboxamide;hydrochloride
CID 137659126

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide (CID 47339147) is N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide is COc1ccc(NC(=O)c2cn[nH]n2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is QDIWVPOPGRTLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O2/c1-17-9-3-2-6(4-7(9)11)13-10(16)8-5-12-15-14-8/h2-5H,1H3,(H,13,16)(H,12,14,15).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 236.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47339147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).