3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

C14H14ClF3N4O — CID 138562312

IUPAC3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(O)(CN)C(F)(F)F)cc1-c1cnc(N)c(Cl)n1
InChIInChI=1S/C14H14ClF3N4O/c1-7-2-3-8(13(23,6-19)14(16,17)18)4-9(7)10-5-21-12(20)11(15)22-10/h2-5,23H,6,19H2,1H3,(H2,20,21)
InChIKeyRZTLNXOBKALWGL-UHFFFAOYSA-N
MW346.74 g/mol
LogP2.40
Rot. Bonds3

About 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138562312) has the molecular formula C14H14ClF3N4O and a molecular weight of 346.74 g/mol. Its IUPAC name is 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138562312
Molecular FormulaC14H14ClF3N4O
Molecular Weight346.74 g/mol
Exact Mass346.08
IUPAC Name3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(O)(CN)C(F)(F)F)cc1-c1cnc(N)c(Cl)n1
InChIInChI=1S/C14H14ClF3N4O/c1-7-2-3-8(13(23,6-19)14(16,17)18)4-9(7)10-5-21-12(20)11(15)22-10/h2-5,23H,6,19H2,1H3,(H2,20,21)
InChIKeyRZTLNXOBKALWGL-UHFFFAOYSA-N
XLogP2.40
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

2-[3-[5-amino-6-(3-methyl-1,2-thiazol-5-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol;2,2,2-trifluoroacetic acid
CID 175698629
3-amino-N-[4-(hydroxymethyl)-1-bicyclo[2.1.1]hexanyl]-6-[2-methyl-5-[(2S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl]phenyl]pyrazine-2-carboxamide
CID 171392725
2-[3-[5-amino-6-(triazol-2-yl)pyrazin-2-yl]-4-methylphenyl]-1,3,3-trifluoropropane-1,2-diol
CID 175541660
2-[3-[5-amino-6-(3-methoxyprop-1-ynyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 153389218
2-[3-[5-amino-6-(4-hydroxypent-1-ynyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 151836507
3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrazine-2-carboxamide
CID 150317870
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[2-methyl-5-(1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl]pyrazine-2-carboxamide;methanamine
CID 153389228
5-[3-amino-6-[5-(3-amino-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methylphenyl]pyrazin-2-yl]-N-methylpyridine-2-carboxamide
CID 152592478
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
2-[3-[5-amino-6-(6-methyl-3-pyridinyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide;bis(2,2,2-trifluoroacetic acid)
CID 156514181
2-[3-[5-amino-6-(2,2-dimethylazetidine-1-carbonyl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 150751838
[[2-[3-[5-amino-6-(2-methylpyrazol-3-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanoyl]amino] 2,2,2-trifluoroacetate
CID 153305429

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138562312) is 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is Cc1ccc(C(O)(CN)C(F)(F)F)cc1-c1cnc(N)c(Cl)n1.
What is the InChIKey of 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is RZTLNXOBKALWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O/c1-7-2-3-8(13(23,6-19)14(16,17)18)4-9(7)10-5-21-12(20)11(15)22-10/h2-5,23H,6,19H2,1H3,(H2,20,21).
What are the key properties of 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 346.74 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(5-amino-6-chloropyrazin-2-yl)-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138562312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).