5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide

C16H14FN5O2 — CID 17015784

IUPAC5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1
InChIInChI=1S/C16H14FN5O2/c1-24-13-4-2-3-11(9-13)19-16(23)14-15(18)22(21-20-14)12-7-5-10(17)6-8-12/h2-9H,18H2,1H3,(H,19,23)
InChIKeyBNJIJQJCOWHTRA-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.25
Rot. Bonds4

About 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide

5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide (PubChem CID 17015784) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
PubChem CID17015784
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1
InChIInChI=1S/C16H14FN5O2/c1-24-13-4-2-3-11(9-13)19-16(23)14-15(18)22(21-20-14)12-7-5-10(17)6-8-12/h2-9H,18H2,1H3,(H,19,23)
InChIKeyBNJIJQJCOWHTRA-UHFFFAOYSA-N
XLogP2.25
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
N-(3-acetylphenyl)-5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17014902
5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015793
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215
1-[4-(difluoromethoxy)phenyl]-5-ethyl-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 16654337
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
5-amino-1-phenyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 27262208
5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 17015741
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
5-amino-N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015813
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide (CID 17015784) is 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide is COc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2N)c1.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is BNJIJQJCOWHTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-24-13-4-2-3-11(9-13)19-16(23)14-15(18)22(21-20-14)12-7-5-10(17)6-8-12/h2-9H,18H2,1H3,(H,19,23).
What are the key properties of 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide?
5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 17015784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).