5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C14H10F4N6 — CID 166321559

IUPAC5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFc1cnc(NCc2nc(-c3ccncc3)n[nH]2)cc1C(F)(F)F
InChIInChI=1S/C14H10F4N6/c15-10-6-20-11(5-9(10)14(16,17)18)21-7-12-22-13(24-23-12)8-1-3-19-4-2-8/h1-6H,7H2,(H,20,21)(H,22,23,24)
InChIKeyVMZHMGXMXRCPFC-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.03
Rot. Bonds4

About 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 166321559) has the molecular formula C14H10F4N6 and a molecular weight of 338.27 g/mol. Its IUPAC name is 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID166321559
Molecular FormulaC14H10F4N6
Molecular Weight338.27 g/mol
Exact Mass338.09
IUPAC Name5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFc1cnc(NCc2nc(-c3ccncc3)n[nH]2)cc1C(F)(F)F
InChIInChI=1S/C14H10F4N6/c15-10-6-20-11(5-9(10)14(16,17)18)21-7-12-22-13(24-23-12)8-1-3-19-4-2-8/h1-6H,7H2,(H,20,21)(H,22,23,24)
InChIKeyVMZHMGXMXRCPFC-UHFFFAOYSA-N
XLogP3.03
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 167982141
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 69317898
N-methyl-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methanamine;dihydrochloride
CID 162335175
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 154877353
6-(3-aminocyclobutyl)-4-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 91765644
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 82569022
2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 11264149
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
5-fluoro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 178093287
N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-fluoroaniline
CID 43840047
4-[5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 4730486
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 166321559) is 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is Fc1cnc(NCc2nc(-c3ccncc3)n[nH]2)cc1C(F)(F)F.
What is the InChIKey of 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VMZHMGXMXRCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N6/c15-10-6-20-11(5-9(10)14(16,17)18)21-7-12-22-13(24-23-12)8-1-3-19-4-2-8/h1-6H,7H2,(H,20,21)(H,22,23,24).
What are the key properties of 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 338.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 166321559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).