2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine

C19H15F3N6 — CID 66584169

IUPAC2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
SMILESCc1cccc(Nc2nc3c(Nc4cccc(C(F)(F)F)c4)nccn3n2)c1
InChIInChI=1S/C19H15F3N6/c1-12-4-2-6-14(10-12)25-18-26-17-16(23-8-9-28(17)27-18)24-15-7-3-5-13(11-15)19(20,21)22/h2-11H,1H3,(H,23,24)(H,25,27)
InChIKeyAFBOXSBZIVZXKB-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.94
Rot. Bonds4

About 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine

2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine (PubChem CID 66584169) has the molecular formula C19H15F3N6 and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine.

Molecular Properties

Compound Name2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
PubChem CID66584169
Molecular FormulaC19H15F3N6
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
SMILESCc1cccc(Nc2nc3c(Nc4cccc(C(F)(F)F)c4)nccn3n2)c1
InChIInChI=1S/C19H15F3N6/c1-12-4-2-6-14(10-12)25-18-26-17-16(23-8-9-28(17)27-18)24-15-7-3-5-13(11-15)19(20,21)22/h2-11H,1H3,(H,23,24)(H,25,27)
InChIKeyAFBOXSBZIVZXKB-UHFFFAOYSA-N
XLogP4.94
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-N-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584155
8-chloro-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 87058900
2,2-difluoro-6-[[2-[3-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]amino]-4H-chromen-3-one
CID 147822433
8-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine
CID 66584174
N-(3-methylphenyl)-8-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 56846717
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 141366646
N-(4-methylphenyl)-8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 143916076
6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 5053700
3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328545
5-chloro-2-N-(4-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768832
6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 79021968

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine?
The IUPAC name of 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine (CID 66584169) is 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine.
What is the SMILES notation for 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine?
The canonical SMILES for 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine is Cc1cccc(Nc2nc3c(Nc4cccc(C(F)(F)F)c4)nccn3n2)c1.
What is the InChIKey of 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine?
The InChIKey is AFBOXSBZIVZXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6/c1-12-4-2-6-14(10-12)25-18-26-17-16(23-8-9-28(17)27-18)24-15-7-3-5-13(11-15)19(20,21)22/h2-11H,1H3,(H,23,24)(H,25,27).
What are the key properties of 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine?
2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine has a molecular weight of 384.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylphenyl)-8-N-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine-2,8-diamine is sourced from PubChem (CID 66584169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).