2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine

C10H9N3 — CID 59469623

IUPAC2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine
SMILESc1nncc2cc3c(cc12)CCN3
InChIInChI=1S/C10H9N3/c1-2-11-10-4-9-6-13-12-5-8(9)3-7(1)10/h3-6,11H,1-2H2
InChIKeyCIJVBHAHXGOKJP-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.60
Rot. Bonds

About 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine

2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine (PubChem CID 59469623) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine
PubChem CID59469623
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine
SMILESc1nncc2cc3c(cc12)CCN3
InChIInChI=1S/C10H9N3/c1-2-11-10-4-9-6-13-12-5-8(9)3-7(1)10/h3-6,11H,1-2H2
InChIKeyCIJVBHAHXGOKJP-UHFFFAOYSA-N
XLogP1.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine?
The IUPAC name of 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine (CID 59469623) is 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine.
What is the SMILES notation for 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine?
The canonical SMILES for 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine is c1nncc2cc3c(cc12)CCN3.
What is the InChIKey of 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine?
The InChIKey is CIJVBHAHXGOKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-11-10-4-9-6-13-12-5-8(9)3-7(1)10/h3-6,11H,1-2H2.
What are the key properties of 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine?
2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine has a molecular weight of 171.20 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrrolo[3,2-g]phthalazine is sourced from PubChem (CID 59469623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).