1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole

C7H12FN3 — CID 130636621

IUPAC1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C)n(CCCF)n1
InChIInChI=1S/C7H12FN3/c1-6-9-7(2)11(10-6)5-3-4-8/h3-5H2,1-2H3
InChIKeyZHIAXBJKZOHWDY-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.25
Rot. Bonds3

About 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole

1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole (PubChem CID 130636621) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole
PubChem CID130636621
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C)n(CCCF)n1
InChIInChI=1S/C7H12FN3/c1-6-9-7(2)11(10-6)5-3-4-8/h3-5H2,1-2H3
InChIKeyZHIAXBJKZOHWDY-UHFFFAOYSA-N
XLogP1.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-1H-1,2,4-triazole-5-carbonitrile
CID 82650970
5-Chloro-1,3-dimethyl-1H-1,2,4-triazole
CID 143397
5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine
CID 28064235
3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
N,N,3,5-tetramethyl-1,2,4-triazol-4-amine
CID 3419382
3,4,5-Trimethyl-4H-1,2,4-triazole
CID 573470
3-Chloro-1,5-dimethyl-1H-1,2,4-triazole
CID 143395
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-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanamine
CID 28064826

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole?
The IUPAC name of 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole (CID 130636621) is 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole is Cc1nc(C)n(CCCF)n1.
What is the InChIKey of 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole?
The InChIKey is ZHIAXBJKZOHWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-6-9-7(2)11(10-6)5-3-4-8/h3-5H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole?
1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole has a molecular weight of 157.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 130636621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).