1-(difluoromethyl)-5-ethyl-1,2,4-triazole

C5H7F2N3 — CID 138552000

IUPAC1-(difluoromethyl)-5-ethyl-1,2,4-triazole
SMILESCCc1ncnn1C(F)F
InChIInChI=1S/C5H7F2N3/c1-2-4-8-3-9-10(4)5(6)7/h3,5H,2H2,1H3
InChIKeyAJXCIBANOQSDKV-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.24
Rot. Bonds2

About 1-(difluoromethyl)-5-ethyl-1,2,4-triazole

1-(difluoromethyl)-5-ethyl-1,2,4-triazole (PubChem CID 138552000) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-ethyl-1,2,4-triazole
PubChem CID138552000
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name1-(difluoromethyl)-5-ethyl-1,2,4-triazole
SMILESCCc1ncnn1C(F)F
InChIInChI=1S/C5H7F2N3/c1-2-4-8-3-9-10(4)5(6)7/h3,5H,2H2,1H3
InChIKeyAJXCIBANOQSDKV-UHFFFAOYSA-N
XLogP1.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-3-(1-methylethyl)-4H-1,2,4-triazole
CID 18338545
3-ethyl-4-methyl-4H-1,2,4-triazole
CID 18726713
4-Methyl-3-(trifluoromethyl)-4H-1,2,4-triazole
CID 23067454
2-(1-methyl-1H-1,2,4-triazol-3-yl)acetonitrile
CID 59872479
5-bromo-3-(difluoromethyl)-1-methyl-1H-1,2,4-triazole
CID 155821892
1-(Difluoromethyl)-3-methyl-1h-1,2,4-triazole
CID 89925217
1-(Difluoromethyl)-5-methyl-1h-1,2,4-triazole
CID 138392529
1,3-Dimethyl-1,2,4-triazole
CID 307977
1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732
1-Bromodifluoromethyl-1,2,4-triazole
CID 129792976
4-Bromodifluoromethyl-1,2,4-triazole
CID 129793000
5-isopropyl-1-methyl-1H-1,2,4-triazole
CID 15496056

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-ethyl-1,2,4-triazole?
The IUPAC name of 1-(difluoromethyl)-5-ethyl-1,2,4-triazole (CID 138552000) is 1-(difluoromethyl)-5-ethyl-1,2,4-triazole.
What is the SMILES notation for 1-(difluoromethyl)-5-ethyl-1,2,4-triazole?
The canonical SMILES for 1-(difluoromethyl)-5-ethyl-1,2,4-triazole is CCc1ncnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-ethyl-1,2,4-triazole?
The InChIKey is AJXCIBANOQSDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c1-2-4-8-3-9-10(4)5(6)7/h3,5H,2H2,1H3.
What are the key properties of 1-(difluoromethyl)-5-ethyl-1,2,4-triazole?
1-(difluoromethyl)-5-ethyl-1,2,4-triazole has a molecular weight of 147.13 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-(difluoromethyl)-5-ethyl-1,2,4-triazole is sourced from PubChem (CID 138552000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).