2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine

C16H12F3N7 — CID 135922409

IUPAC2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESNC1=NC(c2ccc(C(F)(F)F)cc2)n2nc(-c3ccncc3)nc2N1
InChIInChI=1S/C16H12F3N7/c17-16(18,19)11-3-1-10(2-4-11)13-23-14(20)24-15-22-12(25-26(13)15)9-5-7-21-8-6-9/h1-8,13H,(H3,20,22,23,24,25)
InChIKeyFXQRHKDFXLTYDA-UHFFFAOYSA-N
MW359.32 g/mol
LogP2.65
Rot. Bonds2

About 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine

2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (PubChem CID 135922409) has the molecular formula C16H12F3N7 and a molecular weight of 359.32 g/mol. Its IUPAC name is 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.

Molecular Properties

Compound Name2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
PubChem CID135922409
Molecular FormulaC16H12F3N7
Molecular Weight359.32 g/mol
Exact Mass359.11
IUPAC Name2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESNC1=NC(c2ccc(C(F)(F)F)cc2)n2nc(-c3ccncc3)nc2N1
InChIInChI=1S/C16H12F3N7/c17-16(18,19)11-3-1-10(2-4-11)13-23-14(20)24-15-22-12(25-26(13)15)9-5-7-21-8-6-9/h1-8,13H,(H3,20,22,23,24,25)
InChIKeyFXQRHKDFXLTYDA-UHFFFAOYSA-N
XLogP2.65
TPSA94.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
CID 135823162
7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
CID 135823171
(4S)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136732415
13-[4-(trifluoromethyl)phenyl]-4,8-dioxa-12,14,16,18-tetrazatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,14,17-pentaen-15-amine
CID 135952919
3-amino-1-pyridin-4-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]quinazolin-6-one
CID 17337127
(4R)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136674369
5-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965634
2-pyridin-4-yl-4,5,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[1,5-a]quinazoline
CID 136840218
9-(2-fluorophenyl)-2-pyridin-4-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135838874
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
4-[3-[4-(trifluoromethyl)phenyl]-2H-azirin-2-yl]pyridine
CID 135044342
(4R)-4-(4-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 901239

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The IUPAC name of 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (CID 135922409) is 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.
What is the SMILES notation for 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The canonical SMILES for 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is NC1=NC(c2ccc(C(F)(F)F)cc2)n2nc(-c3ccncc3)nc2N1.
What is the InChIKey of 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The InChIKey is FXQRHKDFXLTYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N7/c17-16(18,19)11-3-1-10(2-4-11)13-23-14(20)24-15-22-12(25-26(13)15)9-5-7-21-8-6-9/h1-8,13H,(H3,20,22,23,24,25).
What are the key properties of 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine has a molecular weight of 359.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is sourced from PubChem (CID 135922409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).