5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole

C5H10FN3 — CID 144791046

IUPAC5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole
SMILESCN1C=C(CCF)NN1
InChIInChI=1S/C5H10FN3/c1-9-4-5(2-3-6)7-8-9/h4,7-8H,2-3H2,1H3
InChIKeyAGRAYDBUZLRKEG-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.14
Rot. Bonds2

About 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole

5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole (PubChem CID 144791046) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole.

Molecular Properties

Compound Name5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole
PubChem CID144791046
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole
SMILESCN1C=C(CCF)NN1
InChIInChI=1S/C5H10FN3/c1-9-4-5(2-3-6)7-8-9/h4,7-8H,2-3H2,1H3
InChIKeyAGRAYDBUZLRKEG-UHFFFAOYSA-N
XLogP0.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,4-Trimethyl-triazole
CID 129788352
3-(3-Fluoropropyl)-5-methyl-1,2-dihydrotriazole
CID 124187133
5-Ethyl-3-(2-fluoroethyl)-1,2-dihydrotriazole
CID 124187143
3-Ethyl-5-(trifluoromethyl)-1,2-dihydrotriazole
CID 126515332
3-(2-Fluoroethyl)-5-methyl-1,2-dihydrotriazole
CID 137395747
5-(3-Fluoropropyl)-3-methyl-1,2-dihydrotriazole
CID 144791045
(Z)-1-[amino(methyl)amino]-5-fluoropent-1-en-2-amine
CID 144791047
4-(1-fluoroethyl)-2,3-dihydro-1H-triazole
CID 145303685
(Z)-1-[amino(fluoromethyl)amino]prop-1-en-2-amine
CID 155330072
(E)-3-fluoro-N-methyl-2-(2-methylhydrazinyl)but-1-en-1-amine
CID 155411637
(Z)-4-fluoro-2-hydrazinyl-N-methylbut-1-en-1-amine
CID 163868509
(Z)-1-[amino(2-fluoroethyl)amino]prop-1-en-2-amine
CID 167115798

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole?
The IUPAC name of 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole (CID 144791046) is 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole.
What is the SMILES notation for 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole?
The canonical SMILES for 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole is CN1C=C(CCF)NN1.
What is the InChIKey of 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole?
The InChIKey is AGRAYDBUZLRKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3/c1-9-4-5(2-3-6)7-8-9/h4,7-8H,2-3H2,1H3.
What are the key properties of 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole?
5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole has a molecular weight of 131.15 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-3-methyl-1,2-dihydrotriazole is sourced from PubChem (CID 144791046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).