1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole

C6H9F2N3 — CID 126712832

IUPAC1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1CC(C)(F)F
InChIInChI=1S/C6H9F2N3/c1-5-9-4-10-11(5)3-6(2,7)8/h4H,3H2,1-2H3
InChIKeyMEZTWLOJDKUUED-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.24
Rot. Bonds2

About 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole

1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole (PubChem CID 126712832) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole
PubChem CID126712832
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1CC(C)(F)F
InChIInChI=1S/C6H9F2N3/c1-5-9-4-10-11(5)3-6(2,7)8/h4H,3H2,1-2H3
InChIKeyMEZTWLOJDKUUED-UHFFFAOYSA-N
XLogP1.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole?
The IUPAC name of 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole (CID 126712832) is 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole is Cc1ncnn1CC(C)(F)F.
What is the InChIKey of 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole?
The InChIKey is MEZTWLOJDKUUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-5-9-4-10-11(5)3-6(2,7)8/h4H,3H2,1-2H3.
What are the key properties of 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole?
1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole has a molecular weight of 161.16 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 126712832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).