2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine

C18H12F6N4O2 — CID 142482679

IUPAC2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine
SMILESFC(F)(F)Oc1ccccc1Nc1nccnc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H12F6N4O2/c19-17(20,21)29-13-7-3-1-5-11(13)27-15-16(26-10-9-25-15)28-12-6-2-4-8-14(12)30-18(22,23)24/h1-10H,(H,25,27)(H,26,28)
InChIKeyMXESWFZIGFWJJX-UHFFFAOYSA-N
MW430.31 g/mol
LogP5.76
Rot. Bonds6

About 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine

2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine (PubChem CID 142482679) has the molecular formula C18H12F6N4O2 and a molecular weight of 430.31 g/mol. Its IUPAC name is 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine
PubChem CID142482679
Molecular FormulaC18H12F6N4O2
Molecular Weight430.31 g/mol
Exact Mass430.09
IUPAC Name2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine
SMILESFC(F)(F)Oc1ccccc1Nc1nccnc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H12F6N4O2/c19-17(20,21)29-13-7-3-1-5-11(13)27-15-16(26-10-9-25-15)28-12-6-2-4-8-14(12)30-18(22,23)24/h1-10H,(H,25,27)(H,26,28)
InChIKeyMXESWFZIGFWJJX-UHFFFAOYSA-N
XLogP5.76
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.31
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 70702137
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XL844
CID 10016910
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
2-[4-(2-Methoxyphenyl)piperazin-1-yl]pyrazine
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CID 762653
N-(2-methoxy-5-methylphenyl)-N'-2-pyrazinylurea
CID 6466621
N-(2-methoxyphenyl)-N'-2-pyrazinylurea
CID 6470803
N-(2-methoxyphenyl)-3-nitropyridin-2-amine
CID 2842434
N-(2-ethoxyphenyl)-N'-2-pyrazinylurea
CID 6466915
2-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazine-2,6-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine?
The IUPAC name of 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine (CID 142482679) is 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine is FC(F)(F)Oc1ccccc1Nc1nccnc1Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine?
The InChIKey is MXESWFZIGFWJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N4O2/c19-17(20,21)29-13-7-3-1-5-11(13)27-15-16(26-10-9-25-15)28-12-6-2-4-8-14(12)30-18(22,23)24/h1-10H,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine?
2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine has a molecular weight of 430.31 g/mol, XLogP of 5.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[2-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine is sourced from PubChem (CID 142482679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).