3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole

C7H12FN3 — CID 166858116

IUPAC3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole
SMILESCC(C)C(F)c1ncn(C)n1
InChIInChI=1S/C7H12FN3/c1-5(2)6(8)7-9-4-11(3)10-7/h4-6H,1-3H3
InChIKeyUXNTUNBYGHJZCR-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.48
Rot. Bonds2

About 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole

3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole (PubChem CID 166858116) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole
PubChem CID166858116
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole
SMILESCC(C)C(F)c1ncn(C)n1
InChIInChI=1S/C7H12FN3/c1-5(2)6(8)7-9-4-11(3)10-7/h4-6H,1-3H3
InChIKeyUXNTUNBYGHJZCR-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole (CID 166858116) is 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole is CC(C)C(F)c1ncn(C)n1.
What is the InChIKey of 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole?
The InChIKey is UXNTUNBYGHJZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-5(2)6(8)7-9-4-11(3)10-7/h4-6H,1-3H3.
What are the key properties of 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole?
3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole has a molecular weight of 157.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-2-methylpropyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 166858116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).