2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

C17H16F3N7O2 — CID 151792755

IUPAC2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(-c2cnnn2C)n1
InChIInChI=1S/C17H16F3N7O2/c1-8-3-4-9(16(29,15(22)28)17(18,19)20)5-10(8)11-6-23-14(21)13(25-11)12-7-24-26-27(12)2/h3-7,29H,1-2H3,(H2,21,23)(H2,22,28)
InChIKeyRWYPPOILPVVWGQ-UHFFFAOYSA-N
MW407.36 g/mol
LogP1.06
Rot. Bonds4

About 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide

2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 151792755) has the molecular formula C17H16F3N7O2 and a molecular weight of 407.36 g/mol. Its IUPAC name is 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound Name2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID151792755
Molecular FormulaC17H16F3N7O2
Molecular Weight407.36 g/mol
Exact Mass407.13
IUPAC Name2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide
SMILESCc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(-c2cnnn2C)n1
InChIInChI=1S/C17H16F3N7O2/c1-8-3-4-9(16(29,15(22)28)17(18,19)20)5-10(8)11-6-23-14(21)13(25-11)12-7-24-26-27(12)2/h3-7,29H,1-2H3,(H2,21,23)(H2,22,28)
InChIKeyRWYPPOILPVVWGQ-UHFFFAOYSA-N
XLogP1.06
TPSA145.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide with MolForge

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Related Compounds

US10738057, Example 169
CID 138561173
US10738057, Example 82
CID 138561469
US10738057, Example 89
CID 138561488
US10738057, Example 118
CID 138561498
US10738057, Example 128
CID 138561669
US10738057, Example 120
CID 138562071
US10738057, Example 129
CID 138562319
US10738057, Example 255
CID 138619343
US11046658, Example 107
CID 147233579
US11046658, Example 110
CID 148017736
US11046658, Example 98
CID 148590503
US11046658, Example 7
CID 149380624

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide (CID 151792755) is 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is Cc1ccc(C(O)(C(N)=O)C(F)(F)F)cc1-c1cnc(N)c(-c2cnnn2C)n1.
What is the InChIKey of 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is RWYPPOILPVVWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O2/c1-8-3-4-9(16(29,15(22)28)17(18,19)20)5-10(8)11-6-23-14(21)13(25-11)12-7-24-26-27(12)2/h3-7,29H,1-2H3,(H2,21,23)(H2,22,28).
What are the key properties of 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide?
2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 407.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-6-(3-methyltriazol-4-yl)pyrazin-2-yl]-4-methylphenyl]-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 151792755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).