4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol

C12H10F3N3O — CID 137095446

IUPAC4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol
SMILESNCc1ccc(O)c(-c2cnc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)11-6-17-9(5-18-11)8-3-7(4-16)1-2-10(8)19/h1-3,5-6,19H,4,16H2
InChIKeyZSQYGSAVUMAXPI-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.33
Rot. Bonds2

About 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol

4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol (PubChem CID 137095446) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol
PubChem CID137095446
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol
SMILESNCc1ccc(O)c(-c2cnc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)11-6-17-9(5-18-11)8-3-7(4-16)1-2-10(8)19/h1-3,5-6,19H,4,16H2
InChIKeyZSQYGSAVUMAXPI-UHFFFAOYSA-N
XLogP2.33
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
2-(5-fluoro-2-isocyano-4-pyridinyl)-5-(trifluoromethyl)pyrazine;[5-fluoro-4-[5-(trifluoromethyl)pyrazin-2-yl]-2-pyridinyl]methanamine;hydrochloride
CID 160822674
[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine
CID 176908126
[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708717
[6-(2-fluoropropan-2-yl)-3-pyridinyl]methanamine
CID 142385904
2-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 142726481
4-(aminomethyl)-2-(5-chloro-2H-benzotriazol-4-yl)phenol
CID 174359998
[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 118008047
[6-(2,5-difluorophenyl)-3-pyridinyl]methanamine
CID 83917580
5-(aminomethyl)-2-(triazol-2-yl)phenol
CID 84662586
[6-(trifluoromethyl)pyridazin-4-yl]methanamine
CID 82410670
4-(aminomethyl)-2-(difluoromethyl)phenol
CID 84654551

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol?
The IUPAC name of 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol (CID 137095446) is 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol.
What is the SMILES notation for 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol?
The canonical SMILES for 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol is NCc1ccc(O)c(-c2cnc(C(F)(F)F)cn2)c1.
What is the InChIKey of 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol?
The InChIKey is ZSQYGSAVUMAXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)11-6-17-9(5-18-11)8-3-7(4-16)1-2-10(8)19/h1-3,5-6,19H,4,16H2.
What are the key properties of 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol?
4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol has a molecular weight of 269.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-[5-(trifluoromethyl)pyrazin-2-yl]phenol is sourced from PubChem (CID 137095446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).