3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole

C7H12FN3 — CID 176763673

IUPAC3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nc(CF)nn1C
InChIInChI=1S/C7H12FN3/c1-5(2)7-9-6(4-8)10-11(7)3/h5H,4H2,1-3H3
InChIKeyAMZDUKUPYSYNBF-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.41
Rot. Bonds2

About 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole

3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 176763673) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
PubChem CID176763673
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nc(CF)nn1C
InChIInChI=1S/C7H12FN3/c1-5(2)7-9-6(4-8)10-11(7)3/h5H,4H2,1-3H3
InChIKeyAMZDUKUPYSYNBF-UHFFFAOYSA-N
XLogP1.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
4-Methyl-3-(1-methylethyl)-4H-1,2,4-triazole
CID 18338545
1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-amine
CID 50986546
5-bromo-3-cyclopropyl-1-methyl-1H-1,2,4-triazole
CID 84035176
1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732
3-ethyl-1-methyl-1H-1,2,4-triazol-5-amine
CID 12450937
3-(bromomethyl)-5-cyclopropyl-1-methyl-1H-1,2,4-triazole hydrobromide
CID 165943129
1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
1-Ethyl-3,5-dimethyl-1H-1,2,4-triazole
CID 13010288
5-isopropyl-1-methyl-1H-1,2,4-triazole
CID 15496056
5-Cyclopropyl-1-methyl-1,2,4-triazole
CID 15496057

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole (CID 176763673) is 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole is CC(C)c1nc(CF)nn1C.
What is the InChIKey of 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is AMZDUKUPYSYNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-5(2)7-9-6(4-8)10-11(7)3/h5H,4H2,1-3H3.
What are the key properties of 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole?
3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 157.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 176763673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).