1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol

C10H12F2N4O — CID 114093753

IUPAC1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol
SMILESCc1cccc2nc(NCC(O)C(F)F)nn12
InChIInChI=1S/C10H12F2N4O/c1-6-3-2-4-8-14-10(15-16(6)8)13-5-7(17)9(11)12/h2-4,7,9,17H,5H2,1H3,(H,13,15)
InChIKeyZCZVFZMGVZUWNQ-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.08
Rot. Bonds4

About 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol

1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol (PubChem CID 114093753) has the molecular formula C10H12F2N4O and a molecular weight of 242.23 g/mol. Its IUPAC name is 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol
PubChem CID114093753
Molecular FormulaC10H12F2N4O
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol
SMILESCc1cccc2nc(NCC(O)C(F)F)nn12
InChIInChI=1S/C10H12F2N4O/c1-6-3-2-4-8-14-10(15-16(6)8)13-5-7(17)9(11)12/h2-4,7,9,17H,5H2,1H3,(H,13,15)
InChIKeyZCZVFZMGVZUWNQ-UHFFFAOYSA-N
XLogP1.08
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol (CID 114093753) is 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol is Cc1cccc2nc(NCC(O)C(F)F)nn12.
What is the InChIKey of 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol?
The InChIKey is ZCZVFZMGVZUWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O/c1-6-3-2-4-8-14-10(15-16(6)8)13-5-7(17)9(11)12/h2-4,7,9,17H,5H2,1H3,(H,13,15).
What are the key properties of 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol?
1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol has a molecular weight of 242.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 114093753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).