(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C15H12FN5 — CID 136683267

IUPAC(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=N[C@@H](c2ccccc2F)n2c(nc3ccccc32)N1
InChIInChI=1S/C15H12FN5/c16-10-6-2-1-5-9(10)13-19-14(17)20-15-18-11-7-3-4-8-12(11)21(13)15/h1-8,13H,(H3,17,18,19,20)/t13-/m1/s1
InChIKeyUWUAOLUTMCQGNX-CYBMUJFWSA-N
MW281.29 g/mol
LogP2.46
Rot. Bonds1

About (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 136683267) has the molecular formula C15H12FN5 and a molecular weight of 281.29 g/mol. Its IUPAC name is (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID136683267
Molecular FormulaC15H12FN5
Molecular Weight281.29 g/mol
Exact Mass281.11
IUPAC Name(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=N[C@@H](c2ccccc2F)n2c(nc3ccccc32)N1
InChIInChI=1S/C15H12FN5/c16-10-6-2-1-5-9(10)13-19-14(17)20-15-18-11-7-3-4-8-12(11)21(13)15/h1-8,13H,(H3,17,18,19,20)/t13-/m1/s1
InChIKeyUWUAOLUTMCQGNX-CYBMUJFWSA-N
XLogP2.46
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 136683267) is (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is NC1=N[C@@H](c2ccccc2F)n2c(nc3ccccc32)N1.
What is the InChIKey of (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is UWUAOLUTMCQGNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12FN5/c16-10-6-2-1-5-9(10)13-19-14(17)20-15-18-11-7-3-4-8-12(11)21(13)15/h1-8,13H,(H3,17,18,19,20)/t13-/m1/s1.
What are the key properties of (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 281.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 136683267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).