1,6-dihydropyrano[3,2-d]pyrazole;ethane

C8H12N2O — CID 91565368

IUPAC1,6-dihydropyrano[3,2-d]pyrazole;ethane
SMILESC1=Cc2cn[nH]c2OC1.CC
InChIInChI=1S/C6H6N2O.C2H6/c1-2-5-4-7-8-6(5)9-3-1;1-2/h1-2,4H,3H2,(H,7,8);1-2H3
InChIKeyRWLXEOFYVYZLIL-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.84
Rot. Bonds

About 1,6-dihydropyrano[3,2-d]pyrazole;ethane

1,6-dihydropyrano[3,2-d]pyrazole;ethane (PubChem CID 91565368) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,6-dihydropyrano[3,2-d]pyrazole;ethane.

Molecular Properties

Compound Name1,6-dihydropyrano[3,2-d]pyrazole;ethane
PubChem CID91565368
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1,6-dihydropyrano[3,2-d]pyrazole;ethane
SMILESC1=Cc2cn[nH]c2OC1.CC
InChIInChI=1S/C6H6N2O.C2H6/c1-2-5-4-7-8-6(5)9-3-1;1-2/h1-2,4H,3H2,(H,7,8);1-2H3
InChIKeyRWLXEOFYVYZLIL-UHFFFAOYSA-N
XLogP1.84
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrano[3,2-d]pyrazole;ethane?
The IUPAC name of 1,6-dihydropyrano[3,2-d]pyrazole;ethane (CID 91565368) is 1,6-dihydropyrano[3,2-d]pyrazole;ethane.
What is the SMILES notation for 1,6-dihydropyrano[3,2-d]pyrazole;ethane?
The canonical SMILES for 1,6-dihydropyrano[3,2-d]pyrazole;ethane is C1=Cc2cn[nH]c2OC1.CC.
What is the InChIKey of 1,6-dihydropyrano[3,2-d]pyrazole;ethane?
The InChIKey is RWLXEOFYVYZLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C2H6/c1-2-5-4-7-8-6(5)9-3-1;1-2/h1-2,4H,3H2,(H,7,8);1-2H3.
What are the key properties of 1,6-dihydropyrano[3,2-d]pyrazole;ethane?
1,6-dihydropyrano[3,2-d]pyrazole;ethane has a molecular weight of 152.20 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrano[3,2-d]pyrazole;ethane is sourced from PubChem (CID 91565368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).