5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole

C6H10FN3O — CID 67570876

IUPAC5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole
SMILESCOC(CCF)c1ncn[nH]1
InChIInChI=1S/C6H10FN3O/c1-11-5(2-3-7)6-8-4-9-10-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyWNWHUGFLKRKLQU-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.85
Rot. Bonds4

About 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole

5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole (PubChem CID 67570876) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole
PubChem CID67570876
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC Name5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole
SMILESCOC(CCF)c1ncn[nH]1
InChIInChI=1S/C6H10FN3O/c1-11-5(2-3-7)6-8-4-9-10-6/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyWNWHUGFLKRKLQU-UHFFFAOYSA-N
XLogP0.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Methoxymethyl)-1H-1,2,4-triazole
CID 21443942
1-(4H-1,2,4-Triazol-3-yl)ethan-1-ol
CID 21187528
1-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 126801829
1-(4H-1,2,4-Triazol-3-yl)propan-1-ol hydrochloride
CID 137964058
O-[(1S)-1-(1H-1,2,4-triazol-3-yl)ethyl]hydroxylamine dihydrochloride
CID 146075476
O-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]hydroxylamine dihydrochloride
CID 155819732
(1R)-1-(1H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CID 155822124
1-Fluoro-3-methoxy-3(1,2,4-triazol-3-yl) propane phosphonic acid
CID 53935786
2,2,2-trifluoro-1-(1H-1,2,4-triazol-3-yl)ethan-1-ol
CID 66467463
5-(2,2-difluoro-1-methoxyethyl)-1H-1,2,4-triazole
CID 66810085
3-fluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 67571305
5-(1-fluoropropyl)-1H-1,2,4-triazole
CID 67572104

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole (CID 67570876) is 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole is COC(CCF)c1ncn[nH]1.
What is the InChIKey of 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole?
The InChIKey is WNWHUGFLKRKLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c1-11-5(2-3-7)6-8-4-9-10-6/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole?
5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole has a molecular weight of 159.16 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-1-methoxypropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67570876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).