2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine

C11H14N2 — CID 154161871

IUPAC2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine
SMILESC1=CC2=CN3CCCN3CC2C=C1
InChIInChI=1S/C11H14N2/c1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1/h1-2,4-5,8,11H,3,6-7,9H2
InChIKeySTYCUWUZPSXOOR-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.55
Rot. Bonds

About 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine

2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine (PubChem CID 154161871) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine.

Molecular Properties

Compound Name2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine
PubChem CID154161871
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine
SMILESC1=CC2=CN3CCCN3CC2C=C1
InChIInChI=1S/C11H14N2/c1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1/h1-2,4-5,8,11H,3,6-7,9H2
InChIKeySTYCUWUZPSXOOR-UHFFFAOYSA-N
XLogP1.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine?
The IUPAC name of 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine (CID 154161871) is 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine.
What is the SMILES notation for 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine?
The canonical SMILES for 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine is C1=CC2=CN3CCCN3CC2C=C1.
What is the InChIKey of 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine?
The InChIKey is STYCUWUZPSXOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1/h1-2,4-5,8,11H,3,6-7,9H2.
What are the key properties of 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine?
2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine has a molecular weight of 174.25 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9a,10-tetrahydro-1H-pyrazolo[1,2-b]phthalazine is sourced from PubChem (CID 154161871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).