1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

C7H10F2N4 — CID 115409367

IUPAC1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFC(F)Cn1nnc2c1CCNC2
InChIInChI=1S/C7H10F2N4/c8-7(9)4-13-6-1-2-10-3-5(6)11-12-13/h7,10H,1-4H2
InChIKeyQVXKEEANNWUMCV-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.19
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (PubChem CID 115409367) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
PubChem CID115409367
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC Name1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFC(F)Cn1nnc2c1CCNC2
InChIInChI=1S/C7H10F2N4/c8-7(9)4-13-6-1-2-10-3-5(6)11-12-13/h7,10H,1-4H2
InChIKeyQVXKEEANNWUMCV-UHFFFAOYSA-N
XLogP0.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (CID 115409367) is 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is FC(F)Cn1nnc2c1CCNC2.
What is the InChIKey of 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The InChIKey is QVXKEEANNWUMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c8-7(9)4-13-6-1-2-10-3-5(6)11-12-13/h7,10H,1-4H2.
What are the key properties of 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine has a molecular weight of 188.18 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is sourced from PubChem (CID 115409367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).