3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C10H8F3N5O — CID 62807691

IUPAC3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)5-3-1-2-4-6(5)15-8(19)7-16-9(14)18-17-7/h1-4H,(H,15,19)(H3,14,16,17,18)
InChIKeyDSQAJLUIEGONPP-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.66
Rot. Bonds2

About 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807691) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807691
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC Name3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)5-3-1-2-4-6(5)15-8(19)7-16-9(14)18-17-7/h1-4H,(H,15,19)(H3,14,16,17,18)
InChIKeyDSQAJLUIEGONPP-UHFFFAOYSA-N
XLogP1.66
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(difluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806098
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806476
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
CID 62792673
5-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104642157
5-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 135413583
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62807691) is 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is DSQAJLUIEGONPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c11-10(12,13)5-3-1-2-4-6(5)15-8(19)7-16-9(14)18-17-7/h1-4H,(H,15,19)(H3,14,16,17,18).
What are the key properties of 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 271.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).