2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

C10H10N4O2 — CID 106468632

IUPAC2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=C1C2COCCC2=NN1c1cnccn1
InChIInChI=1S/C10H10N4O2/c15-10-7-6-16-4-1-8(7)13-14(10)9-5-11-2-3-12-9/h2-3,5,7H,1,4,6H2
InChIKeyVWYNEVXPWYVSOI-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.22
Rot. Bonds1

About 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (PubChem CID 106468632) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
PubChem CID106468632
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=C1C2COCCC2=NN1c1cnccn1
InChIInChI=1S/C10H10N4O2/c15-10-7-6-16-4-1-8(7)13-14(10)9-5-11-2-3-12-9/h2-3,5,7H,1,4,6H2
InChIKeyVWYNEVXPWYVSOI-UHFFFAOYSA-N
XLogP0.22
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (CID 106468632) is 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is O=C1C2COCCC2=NN1c1cnccn1.
What is the InChIKey of 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The InChIKey is VWYNEVXPWYVSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10-7-6-16-4-1-8(7)13-14(10)9-5-11-2-3-12-9/h2-3,5,7H,1,4,6H2.
What are the key properties of 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one has a molecular weight of 218.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-3a,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 106468632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).