1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C12H14N4O — CID 121214663

IUPAC1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCCn1nc(-c2cnccn2)c2c1CCOC2
InChIInChI=1S/C12H14N4O/c1-2-16-11-3-6-17-8-9(11)12(15-16)10-7-13-4-5-14-10/h4-5,7H,2-3,6,8H2,1H3
InChIKeyUVIMMHNMODPKKA-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.43
Rot. Bonds2

About 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 121214663) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID121214663
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCCn1nc(-c2cnccn2)c2c1CCOC2
InChIInChI=1S/C12H14N4O/c1-2-16-11-3-6-17-8-9(11)12(15-16)10-7-13-4-5-14-10/h4-5,7H,2-3,6,8H2,1H3
InChIKeyUVIMMHNMODPKKA-UHFFFAOYSA-N
XLogP1.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 121214663) is 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is CCn1nc(-c2cnccn2)c2c1CCOC2.
What is the InChIKey of 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is UVIMMHNMODPKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-16-11-3-6-17-8-9(11)12(15-16)10-7-13-4-5-14-10/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 230.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pyrazin-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 121214663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).