3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one

C6H10FN3O2 — CID 154642334

IUPAC3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CF)n1CCCO
InChIInChI=1S/C6H10FN3O2/c7-4-5-8-9-6(12)10(5)2-1-3-11/h11H,1-4H2,(H,9,12)
InChIKeyNSNHNFTYKPYFKL-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.58
Rot. Bonds4

About 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one

3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one (PubChem CID 154642334) has the molecular formula C6H10FN3O2 and a molecular weight of 175.16 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
PubChem CID154642334
Molecular FormulaC6H10FN3O2
Molecular Weight175.16 g/mol
Exact Mass175.08
IUPAC Name3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CF)n1CCCO
InChIInChI=1S/C6H10FN3O2/c7-4-5-8-9-6(12)10(5)2-1-3-11/h11H,1-4H2,(H,9,12)
InChIKeyNSNHNFTYKPYFKL-UHFFFAOYSA-N
XLogP-0.58
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 389497
3-(fluoromethyl)-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one
CID 154642263
3-(hydroxymethyl)-4-propyl-1H-1,2,4-triazol-5-one
CID 142335819
4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
CID 107410746

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one (CID 154642334) is 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(CF)n1CCCO.
What is the InChIKey of 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The InChIKey is NSNHNFTYKPYFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O2/c7-4-5-8-9-6(12)10(5)2-1-3-11/h11H,1-4H2,(H,9,12).
What are the key properties of 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one has a molecular weight of 175.16 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 154642334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).