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

C15H12FN7 — CID 135922403

IUPAC7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESNC1=NC(c2ccccc2F)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C15H12FN7/c16-11-6-2-1-5-10(11)13-20-14(17)21-15-19-12(22-23(13)15)9-4-3-7-18-8-9/h1-8,13H,(H3,17,19,20,21,22)
InChIKeyDOOIVPQOJWAIKA-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.77
Rot. Bonds2

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

7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (PubChem CID 135922403) has the molecular formula C15H12FN7 and a molecular weight of 309.31 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.

Molecular Properties

Compound Name7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
PubChem CID135922403
Molecular FormulaC15H12FN7
Molecular Weight309.31 g/mol
Exact Mass309.11
IUPAC Name7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESNC1=NC(c2ccccc2F)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C15H12FN7/c16-11-6-2-1-5-10(11)13-20-14(17)21-15-19-12(22-23(13)15)9-4-3-7-18-8-9/h1-8,13H,(H3,17,19,20,21,22)
InChIKeyDOOIVPQOJWAIKA-UHFFFAOYSA-N
XLogP1.77
TPSA94.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.77
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
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
7-(2-fluorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135799768
(4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 704602
7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135548853
7-(1-methylcyclopropyl)-2-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136840169
(7R)-7-(2-fluorophenyl)-5-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 135726819
7-(4-bromophenyl)-5-methyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135676805
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
9-(2-chlorophenyl)-6,6-dimethyl-2-pyridin-3-yl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135765732
(7S)-5-(4-bromophenyl)-7-(2-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136815743

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The IUPAC name of 7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (CID 135922403) is 7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.
What is the SMILES notation for 7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The canonical SMILES for 7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is NC1=NC(c2ccccc2F)n2nc(-c3cccnc3)nc2N1.
What is the InChIKey of 7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The InChIKey is DOOIVPQOJWAIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN7/c16-11-6-2-1-5-10(11)13-20-14(17)21-15-19-12(22-23(13)15)9-4-3-7-18-8-9/h1-8,13H,(H3,17,19,20,21,22).
What are the key properties of 7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine has a molecular weight of 309.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is sourced from PubChem (CID 135922403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).