2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol

C10H8F3N5O — CID 170260348

IUPAC2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol
SMILESCc1nc(N)nnc1-c1ncc(C(F)(F)F)cc1O
InChIInChI=1S/C10H8F3N5O/c1-4-7(17-18-9(14)16-4)8-6(19)2-5(3-15-8)10(11,12)13/h2-3,19H,1H3,(H2,14,16,18)
InChIKeyILGBBDRAOHGADR-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.55
Rot. Bonds1

About 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol

2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 170260348) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol
PubChem CID170260348
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC Name2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol
SMILESCc1nc(N)nnc1-c1ncc(C(F)(F)F)cc1O
InChIInChI=1S/C10H8F3N5O/c1-4-7(17-18-9(14)16-4)8-6(19)2-5(3-15-8)10(11,12)13/h2-3,19H,1H3,(H2,14,16,18)
InChIKeyILGBBDRAOHGADR-UHFFFAOYSA-N
XLogP1.55
TPSA97.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol (CID 170260348) is 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol is Cc1nc(N)nnc1-c1ncc(C(F)(F)F)cc1O.
What is the InChIKey of 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is ILGBBDRAOHGADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c1-4-7(17-18-9(14)16-4)8-6(19)2-5(3-15-8)10(11,12)13/h2-3,19H,1H3,(H2,14,16,18).
What are the key properties of 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol?
2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 271.20 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methyl-1,2,4-triazin-6-yl)-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 170260348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).