5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C10H15F2N3 — CID 134571884

IUPAC5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCC(C)c1nc2n(n1)C(C(C)(F)F)CC2
InChIInChI=1S/C10H15F2N3/c1-6(2)9-13-8-5-4-7(10(3,11)12)15(8)14-9/h6-7H,4-5H2,1-3H3
InChIKeyMKKHVCZOMFLZHF-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.54
Rot. Bonds2

About 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 134571884) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID134571884
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESCC(C)c1nc2n(n1)C(C(C)(F)F)CC2
InChIInChI=1S/C10H15F2N3/c1-6(2)9-13-8-5-4-7(10(3,11)12)15(8)14-9/h6-7H,4-5H2,1-3H3
InChIKeyMKKHVCZOMFLZHF-UHFFFAOYSA-N
XLogP2.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 134571884) is 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is CC(C)c1nc2n(n1)C(C(C)(F)F)CC2.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is MKKHVCZOMFLZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-6(2)9-13-8-5-4-7(10(3,11)12)15(8)14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 215.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 134571884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).