5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine

C16H20ClF3N4 — CID 138508388

IUPAC5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine
SMILESC/C(N)=C/C1=C(N)NCCN1C(C)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H20ClF3N4/c1-9(21)7-14-15(22)23-5-6-24(14)10(2)12-8-11(17)3-4-13(12)16(18,19)20/h3-4,7-8,10,23H,5-6,21-22H2,1-2H3/b9-7-
InChIKeyJQSQLUGDUJOLOU-CLFYSBASSA-N
MW360.81 g/mol
LogP3.32
Rot. Bonds3

About 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine

5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine (PubChem CID 138508388) has the molecular formula C16H20ClF3N4 and a molecular weight of 360.81 g/mol. Its IUPAC name is 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine.

Molecular Properties

Compound Name5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine
PubChem CID138508388
Molecular FormulaC16H20ClF3N4
Molecular Weight360.81 g/mol
Exact Mass360.13
IUPAC Name5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine
SMILESC/C(N)=C/C1=C(N)NCCN1C(C)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H20ClF3N4/c1-9(21)7-14-15(22)23-5-6-24(14)10(2)12-8-11(17)3-4-13(12)16(18,19)20/h3-4,7-8,10,23H,5-6,21-22H2,1-2H3/b9-7-
InChIKeyJQSQLUGDUJOLOU-CLFYSBASSA-N
XLogP3.32
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine?
The IUPAC name of 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine (CID 138508388) is 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine.
What is the SMILES notation for 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine?
The canonical SMILES for 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine is C/C(N)=C/C1=C(N)NCCN1C(C)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine?
The InChIKey is JQSQLUGDUJOLOU-CLFYSBASSA-N. The full InChI is InChI=1S/C16H20ClF3N4/c1-9(21)7-14-15(22)23-5-6-24(14)10(2)12-8-11(17)3-4-13(12)16(18,19)20/h3-4,7-8,10,23H,5-6,21-22H2,1-2H3/b9-7-.
What are the key properties of 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine?
5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine has a molecular weight of 360.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-aminoprop-1-enyl]-4-[1-[5-chloro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyrazin-6-amine is sourced from PubChem (CID 138508388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).