3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine

C12H9ClF3N3 — CID 62881850

IUPAC3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(CNc2nccnc2Cl)cc1
InChIInChI=1S/C12H9ClF3N3/c13-10-11(18-6-5-17-10)19-7-8-1-3-9(4-2-8)12(14,15)16/h1-6H,7H2,(H,18,19)
InChIKeyMHINMFOKMJEUIQ-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.76
Rot. Bonds3

About 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine

3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine (PubChem CID 62881850) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
PubChem CID62881850
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(CNc2nccnc2Cl)cc1
InChIInChI=1S/C12H9ClF3N3/c13-10-11(18-6-5-17-10)19-7-8-1-3-9(4-2-8)12(14,15)16/h1-6H,7H2,(H,18,19)
InChIKeyMHINMFOKMJEUIQ-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine
CID 81035957
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599
5-bromo-2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79072897
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
3-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
CID 169204837
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
CID 71432458
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 60726264
N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 65273910
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 60699153
5-(4-chlorophenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 3999347
5-bromo-2-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80806527

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine (CID 62881850) is 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine is FC(F)(F)c1ccc(CNc2nccnc2Cl)cc1.
What is the InChIKey of 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
The InChIKey is MHINMFOKMJEUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c13-10-11(18-6-5-17-10)19-7-8-1-3-9(4-2-8)12(14,15)16/h1-6H,7H2,(H,18,19).
What are the key properties of 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine has a molecular weight of 287.67 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 62881850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).