4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one

C13H14N6O2 — CID 71972286

IUPAC4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
SMILESCn1cc(CCCn2c(-c3cnccn3)noc2=O)cn1
InChIInChI=1S/C13H14N6O2/c1-18-9-10(7-16-18)3-2-6-19-12(17-21-13(19)20)11-8-14-4-5-15-11/h4-5,7-9H,2-3,6H2,1H3
InChIKeyKLQBSIQSGWXTHF-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.66
Rot. Bonds5

About 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one

4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 71972286) has the molecular formula C13H14N6O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
PubChem CID71972286
Molecular FormulaC13H14N6O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one
SMILESCn1cc(CCCn2c(-c3cnccn3)noc2=O)cn1
InChIInChI=1S/C13H14N6O2/c1-18-9-10(7-16-18)3-2-6-19-12(17-21-13(19)20)11-8-14-4-5-15-11/h4-5,7-9H,2-3,6H2,1H3
InChIKeyKLQBSIQSGWXTHF-UHFFFAOYSA-N
XLogP0.66
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one (CID 71972286) is 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one is Cn1cc(CCCn2c(-c3cnccn3)noc2=O)cn1.
What is the InChIKey of 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is KLQBSIQSGWXTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-18-9-10(7-16-18)3-2-6-19-12(17-21-13(19)20)11-8-14-4-5-15-11/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one?
4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 286.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpyrazol-4-yl)propyl]-3-pyrazin-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 71972286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).