5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine

C18H13F3N6 — CID 142482705

IUPAC5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine
SMILESFC(F)(F)c1nc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2[nH]1
InChIInChI=1S/C18H13F3N6/c19-18(20,21)17-26-15-16(27-17)25-14(23-12-9-5-2-6-10-12)13(24-15)22-11-7-3-1-4-8-11/h1-10H,(H3,22,23,24,25,26,27)
InChIKeyOETPQQUJZKEIEK-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.86
Rot. Bonds4

About 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine

5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine (PubChem CID 142482705) has the molecular formula C18H13F3N6 and a molecular weight of 370.34 g/mol. Its IUPAC name is 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine
PubChem CID142482705
Molecular FormulaC18H13F3N6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC Name5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine
SMILESFC(F)(F)c1nc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2[nH]1
InChIInChI=1S/C18H13F3N6/c19-18(20,21)17-26-15-16(27-17)25-14(23-12-9-5-2-6-10-12)13(24-15)22-11-7-3-1-4-8-11/h1-10H,(H3,22,23,24,25,26,27)
InChIKeyOETPQQUJZKEIEK-UHFFFAOYSA-N
XLogP4.86
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine
CID 146200856
6-N-(2-fluorophenyl)-3-methyl-5-N-phenyl-2-(trifluoromethyl)imidazo[4,5-b]pyrazine-5,6-diamine
CID 135387951
2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
CID 70979281
6-methyl-N-phenyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430600
7-bromo-2-N,3-N-diphenylpyrido[2,3-b]pyrazine-2,3-diamine
CID 1111682
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545606
6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110434628
2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
CID 82235464
5-N,6-N-diphenyltetrazine-5,6-diamine
CID 166773388
N-[[2-(trifluoromethyl)-1H-benzimidazol-4-yl]methylideneamino]aniline
CID 169384028
5-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2844516

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine (CID 142482705) is 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine is FC(F)(F)c1nc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2[nH]1.
What is the InChIKey of 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine?
The InChIKey is OETPQQUJZKEIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6/c19-18(20,21)17-26-15-16(27-17)25-14(23-12-9-5-2-6-10-12)13(24-15)22-11-7-3-1-4-8-11/h1-10H,(H3,22,23,24,25,26,27).
What are the key properties of 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine?
5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine has a molecular weight of 370.34 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).