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

C6H10FN3 — CID 157031651

IUPAC1-(3-fluoropropyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1CCCF
InChIInChI=1S/C6H10FN3/c1-6-8-5-9-10(6)4-2-3-7/h5H,2-4H2,1H3
InChIKeyWALGJWAKXNBCFV-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.95
Rot. Bonds3

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

1-(3-fluoropropyl)-5-methyl-1,2,4-triazole (PubChem CID 157031651) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-5-methyl-1,2,4-triazole
PubChem CID157031651
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name1-(3-fluoropropyl)-5-methyl-1,2,4-triazole
SMILESCc1ncnn1CCCF
InChIInChI=1S/C6H10FN3/c1-6-8-5-9-10(6)4-2-3-7/h5H,2-4H2,1H3
InChIKeyWALGJWAKXNBCFV-UHFFFAOYSA-N
XLogP0.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-5-methyl-1,2,4-triazole?
The IUPAC name of 1-(3-fluoropropyl)-5-methyl-1,2,4-triazole (CID 157031651) is 1-(3-fluoropropyl)-5-methyl-1,2,4-triazole.
What is the SMILES notation for 1-(3-fluoropropyl)-5-methyl-1,2,4-triazole?
The canonical SMILES for 1-(3-fluoropropyl)-5-methyl-1,2,4-triazole is Cc1ncnn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-5-methyl-1,2,4-triazole?
The InChIKey is WALGJWAKXNBCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-6-8-5-9-10(6)4-2-3-7/h5H,2-4H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-5-methyl-1,2,4-triazole?
1-(3-fluoropropyl)-5-methyl-1,2,4-triazole has a molecular weight of 143.16 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-5-methyl-1,2,4-triazole is sourced from PubChem (CID 157031651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).