3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C14H9F2N7 — CID 46829348

IUPAC3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(c1nnnn1-c1ccccc1)c1nnc2ccccn12
InChIInChI=1S/C14H9F2N7/c15-14(16,12-18-17-11-8-4-5-9-22(11)12)13-19-20-21-23(13)10-6-2-1-3-7-10/h1-9H
InChIKeyHCHOXAHIWCWMGB-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.85
Rot. Bonds3

About 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 46829348) has the molecular formula C14H9F2N7 and a molecular weight of 313.27 g/mol. Its IUPAC name is 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID46829348
Molecular FormulaC14H9F2N7
Molecular Weight313.27 g/mol
Exact Mass313.09
IUPAC Name3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(c1nnnn1-c1ccccc1)c1nnc2ccccn12
InChIInChI=1S/C14H9F2N7/c15-14(16,12-18-17-11-8-4-5-9-22(11)12)13-19-20-21-23(13)10-6-2-1-3-7-10/h1-9H
InChIKeyHCHOXAHIWCWMGB-UHFFFAOYSA-N
XLogP1.85
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 46829348) is 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(c1nnnn1-c1ccccc1)c1nnc2ccccn12.
What is the InChIKey of 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HCHOXAHIWCWMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N7/c15-14(16,12-18-17-11-8-4-5-9-22(11)12)13-19-20-21-23(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 313.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro-(1-phenyltetrazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 46829348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).