N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine

C19H13F6N3O2 — CID 162221534

IUPACN-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine
SMILESFC(F)(F)Oc1ccccc1Cc1nccnc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H13F6N3O2/c20-18(21,22)29-15-7-3-1-5-12(15)11-14-17(27-10-9-26-14)28-13-6-2-4-8-16(13)30-19(23,24)25/h1-10H,11H2,(H,27,28)
InChIKeyZUEOXTXNPWPCHD-UHFFFAOYSA-N
MW429.32 g/mol
LogP5.61
Rot. Bonds6

About N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine

N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine (PubChem CID 162221534) has the molecular formula C19H13F6N3O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine
PubChem CID162221534
Molecular FormulaC19H13F6N3O2
Molecular Weight429.32 g/mol
Exact Mass429.09
IUPAC NameN-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine
SMILESFC(F)(F)Oc1ccccc1Cc1nccnc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C19H13F6N3O2/c20-18(21,22)29-15-7-3-1-5-12(15)11-14-17(27-10-9-26-14)28-13-6-2-4-8-16(13)30-19(23,24)25/h1-10H,11H2,(H,27,28)
InChIKeyZUEOXTXNPWPCHD-UHFFFAOYSA-N
XLogP5.61
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.32
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
6-chloro-4-N-methyl-2-N-[2-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 80768863
N-iodo-2-(trifluoromethoxy)aniline
CID 145093219
3-bromo-5-chloro-N-[2-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 114836594
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 71930586
3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
CID 62895868
2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80768669
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
CID 142546618
CID 142546618
5-amino-2-[2-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
CID 60922508
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine?
The IUPAC name of N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine (CID 162221534) is N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine is FC(F)(F)Oc1ccccc1Cc1nccnc1Nc1ccccc1OC(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine?
The InChIKey is ZUEOXTXNPWPCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O2/c20-18(21,22)29-15-7-3-1-5-12(15)11-14-17(27-10-9-26-14)28-13-6-2-4-8-16(13)30-19(23,24)25/h1-10H,11H2,(H,27,28).
What are the key properties of N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine?
N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine has a molecular weight of 429.32 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 162221534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).