6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine

C14H15F3N4 — CID 80736801

IUPAC6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-2-7-19-12-8-18-9-13(21-12)20-11-6-4-3-5-10(11)14(15,16)17/h3-6,8-9H,2,7H2,1H3,(H2,19,20,21)
InChIKeyTWSODCOTPGGKKV-UHFFFAOYSA-N
MW296.30 g/mol
LogP4.06
Rot. Bonds5

About 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine

6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine (PubChem CID 80736801) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
PubChem CID80736801
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-2-7-19-12-8-18-9-13(21-12)20-11-6-4-3-5-10(11)14(15,16)17/h3-6,8-9H,2,7H2,1H3,(H2,19,20,21)
InChIKeyTWSODCOTPGGKKV-UHFFFAOYSA-N
XLogP4.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-propyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80736803
4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882930
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273
2-N-(2-tert-butylphenyl)-6-N-methylpyrazine-2,6-diamine
CID 80836441
2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80845005
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
3-N-(2-methoxyethyl)-5-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112943606
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine?
The IUPAC name of 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine (CID 80736801) is 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine?
The canonical SMILES for 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine is CCCNc1cncc(Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine?
The InChIKey is TWSODCOTPGGKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-2-7-19-12-8-18-9-13(21-12)20-11-6-4-3-5-10(11)14(15,16)17/h3-6,8-9H,2,7H2,1H3,(H2,19,20,21).
What are the key properties of 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine?
6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine is sourced from PubChem (CID 80736801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).