3-fluoro-4-methyl-1,2,4-triazole

C3H4FN3 — CID 90177504

IUPAC3-fluoro-4-methyl-1,2,4-triazole
SMILESCn1cnnc1F
InChIInChI=1S/C3H4FN3/c1-7-2-5-6-3(7)4/h2H,1H3
InChIKeyKDOIVKWNTCOHCH-UHFFFAOYSA-N
MW101.08 g/mol
LogP-0.05
Rot. Bonds

About 3-fluoro-4-methyl-1,2,4-triazole

3-fluoro-4-methyl-1,2,4-triazole (PubChem CID 90177504) has the molecular formula C3H4FN3 and a molecular weight of 101.08 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-fluoro-4-methyl-1,2,4-triazole
PubChem CID90177504
Molecular FormulaC3H4FN3
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC Name3-fluoro-4-methyl-1,2,4-triazole
SMILESCn1cnnc1F
InChIInChI=1S/C3H4FN3/c1-7-2-5-6-3(7)4/h2H,1H3
InChIKeyKDOIVKWNTCOHCH-UHFFFAOYSA-N
XLogP-0.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1,2,4-triazole?
The IUPAC name of 3-fluoro-4-methyl-1,2,4-triazole (CID 90177504) is 3-fluoro-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-fluoro-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-fluoro-4-methyl-1,2,4-triazole is Cn1cnnc1F.
What is the InChIKey of 3-fluoro-4-methyl-1,2,4-triazole?
The InChIKey is KDOIVKWNTCOHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3/c1-7-2-5-6-3(7)4/h2H,1H3.
What are the key properties of 3-fluoro-4-methyl-1,2,4-triazole?
3-fluoro-4-methyl-1,2,4-triazole has a molecular weight of 101.08 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1,2,4-triazole is sourced from PubChem (CID 90177504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).