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

C15H18ClF3N4 — CID 138508204

IUPAC5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine
SMILESC/C(N)=C/C1=C(N)NCCN1Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H18ClF3N4/c1-9(20)6-13-14(21)22-4-5-23(13)8-10-7-11(16)2-3-12(10)15(17,18)19/h2-3,6-7,22H,4-5,8,20-21H2,1H3/b9-6-
InChIKeyCDSXNSXGICEHKD-TWGQIWQCSA-N
MW346.78 g/mol
LogP2.75
Rot. Bonds3

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

5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine (PubChem CID 138508204) has the molecular formula C15H18ClF3N4 and a molecular weight of 346.78 g/mol. Its IUPAC name is 5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine.

Molecular Properties

Compound Name5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine
PubChem CID138508204
Molecular FormulaC15H18ClF3N4
Molecular Weight346.78 g/mol
Exact Mass346.12
IUPAC Name5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine
SMILESC/C(N)=C/C1=C(N)NCCN1Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C15H18ClF3N4/c1-9(20)6-13-14(21)22-4-5-23(13)8-10-7-11(16)2-3-12(10)15(17,18)19/h2-3,6-7,22H,4-5,8,20-21H2,1H3/b9-6-
InChIKeyCDSXNSXGICEHKD-TWGQIWQCSA-N
XLogP2.75
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 52.75
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-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine?
The IUPAC name of 5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine (CID 138508204) is 5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine.
What is the SMILES notation for 5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine?
The canonical SMILES for 5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine is C/C(N)=C/C1=C(N)NCCN1Cc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine?
The InChIKey is CDSXNSXGICEHKD-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H18ClF3N4/c1-9(20)6-13-14(21)22-4-5-23(13)8-10-7-11(16)2-3-12(10)15(17,18)19/h2-3,6-7,22H,4-5,8,20-21H2,1H3/b9-6-.
What are the key properties of 5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine?
5-[(Z)-2-aminoprop-1-enyl]-4-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine has a molecular weight of 346.78 g/mol, XLogP of 2.75, 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-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrazin-6-amine is sourced from PubChem (CID 138508204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).