3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C13H10F2N4O — CID 62537383

IUPAC3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(-c3ccc(OC(F)F)cc3)n2c1
InChIInChI=1S/C13H10F2N4O/c14-13(15)20-10-4-1-8(2-5-10)12-18-17-11-6-3-9(16)7-19(11)12/h1-7,13H,16H2
InChIKeySHWGVXIKFMSWIU-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.58
Rot. Bonds3

About 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 62537383) has the molecular formula C13H10F2N4O and a molecular weight of 276.25 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID62537383
Molecular FormulaC13H10F2N4O
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(-c3ccc(OC(F)F)cc3)n2c1
InChIInChI=1S/C13H10F2N4O/c14-13(15)20-10-4-1-8(2-5-10)12-18-17-11-6-3-9(16)7-19(11)12/h1-7,13H,16H2
InChIKeySHWGVXIKFMSWIU-UHFFFAOYSA-N
XLogP2.58
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine with MolForge

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Related Compounds

3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride
CID 138040683
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 55087007
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 107974678
4-(difluoromethoxy)aniline
CID 737363
4-[4-(difluoromethoxy)phenoxy]aniline
CID 71414941
3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63078412
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 137006538
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-[4-(difluoromethoxy)phenyl]-1,2,4-triazol-4-amine
CID 16544696
3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538543
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-propan-2-yloxyaniline
CID 82058683
3-[4-(difluoromethoxy)phenyl]-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine
CID 18275369
3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162667738

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 62537383) is 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Nc1ccc2nnc(-c3ccc(OC(F)F)cc3)n2c1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is SHWGVXIKFMSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O/c14-13(15)20-10-4-1-8(2-5-10)12-18-17-11-6-3-9(16)7-19(11)12/h1-7,13H,16H2.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 276.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 62537383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).