7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C12H15F2N3O — CID 165478488

IUPAC7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCC(CC)c1nc2cc(C(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C12H15F2N3O/c1-3-7(4-2)12-15-9-5-8(11(13)14)6-10(18)17(9)16-12/h5-7,11H,3-4H2,1-2H3,(H,15,16)
InChIKeyLSZNFRVDDPAQFU-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.86
Rot. Bonds4

About 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165478488) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165478488
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCC(CC)c1nc2cc(C(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C12H15F2N3O/c1-3-7(4-2)12-15-9-5-8(11(13)14)6-10(18)17(9)16-12/h5-7,11H,3-4H2,1-2H3,(H,15,16)
InChIKeyLSZNFRVDDPAQFU-UHFFFAOYSA-N
XLogP2.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165478488) is 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CCC(CC)c1nc2cc(C(F)F)cc(=O)n2[nH]1.
What is the InChIKey of 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is LSZNFRVDDPAQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-3-7(4-2)12-15-9-5-8(11(13)14)6-10(18)17(9)16-12/h5-7,11H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 255.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-pentan-3-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165478488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).