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

C6H12FN3 — CID 144791045

IUPAC5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole
SMILESCN1C=C(CCCF)NN1
InChIInChI=1S/C6H12FN3/c1-10-5-6(8-9-10)3-2-4-7/h5,8-9H,2-4H2,1H3
InChIKeyUSILKRBIXFCUKY-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.53
Rot. Bonds3

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

5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole (PubChem CID 144791045) has the molecular formula C6H12FN3 and a molecular weight of 145.18 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole.

Molecular Properties

Compound Name5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole
PubChem CID144791045
Molecular FormulaC6H12FN3
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole
SMILESCN1C=C(CCCF)NN1
InChIInChI=1S/C6H12FN3/c1-10-5-6(8-9-10)3-2-4-7/h5,8-9H,2-4H2,1H3
InChIKeyUSILKRBIXFCUKY-UHFFFAOYSA-N
XLogP0.53
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole?
The IUPAC name of 5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole (CID 144791045) is 5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole.
What is the SMILES notation for 5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole?
The canonical SMILES for 5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole is CN1C=C(CCCF)NN1.
What is the InChIKey of 5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole?
The InChIKey is USILKRBIXFCUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3/c1-10-5-6(8-9-10)3-2-4-7/h5,8-9H,2-4H2,1H3.
What are the key properties of 5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole?
5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole has a molecular weight of 145.18 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-3-methyl-1,2-dihydrotriazole is sourced from PubChem (CID 144791045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).