3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole

C5H6FN5 — CID 89419996

IUPAC3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole
SMILESFc1cn[nH]c1N1C=CNN1
InChIInChI=1S/C5H6FN5/c6-4-3-8-9-5(4)11-2-1-7-10-11/h1-3,7,10H,(H,8,9)
InChIKeyLOMWBWPWDVIGDE-UHFFFAOYSA-N
MW155.14 g/mol
LogP-0.15
Rot. Bonds1

About 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole

3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole (PubChem CID 89419996) has the molecular formula C5H6FN5 and a molecular weight of 155.14 g/mol. Its IUPAC name is 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole.

Molecular Properties

Compound Name3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole
PubChem CID89419996
Molecular FormulaC5H6FN5
Molecular Weight155.14 g/mol
Exact Mass155.06
IUPAC Name3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole
SMILESFc1cn[nH]c1N1C=CNN1
InChIInChI=1S/C5H6FN5/c6-4-3-8-9-5(4)11-2-1-7-10-11/h1-3,7,10H,(H,8,9)
InChIKeyLOMWBWPWDVIGDE-UHFFFAOYSA-N
XLogP-0.15
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole?
The IUPAC name of 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole (CID 89419996) is 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole.
What is the SMILES notation for 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole?
The canonical SMILES for 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole is Fc1cn[nH]c1N1C=CNN1.
What is the InChIKey of 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole?
The InChIKey is LOMWBWPWDVIGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN5/c6-4-3-8-9-5(4)11-2-1-7-10-11/h1-3,7,10H,(H,8,9).
What are the key properties of 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole?
3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole has a molecular weight of 155.14 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-pyrazol-5-yl)-1,2-dihydrotriazole is sourced from PubChem (CID 89419996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).