pyrido[3,4-f]phthalazine

C11H7N3 — CID 122577314

IUPACpyrido[3,4-f]phthalazine
SMILESc1cc2ccc3cnncc3c2cn1
InChIInChI=1S/C11H7N3/c1-2-9-5-13-14-7-11(9)10-6-12-4-3-8(1)10/h1-7H
InChIKeyPXQUHFFVAGPYTE-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds

About pyrido[3,4-f]phthalazine

pyrido[3,4-f]phthalazine (PubChem CID 122577314) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is pyrido[3,4-f]phthalazine.

Molecular Properties

Compound Namepyrido[3,4-f]phthalazine
PubChem CID122577314
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Namepyrido[3,4-f]phthalazine
SMILESc1cc2ccc3cnncc3c2cn1
InChIInChI=1S/C11H7N3/c1-2-9-5-13-14-7-11(9)10-6-12-4-3-8(1)10/h1-7H
InChIKeyPXQUHFFVAGPYTE-UHFFFAOYSA-N
XLogP2.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-phenanthroline
CID 23271029
8,44-diazadodecacyclo[24.24.0.02,23.03,20.04,17.05,14.06,11.029,50.032,49.035,48.038,47.041,46]pentaconta-1(26),2(23),3(20),4(17),5(14),6(11),7,9,12,15,18,21,24,27,29(50),30,32(49),33,35(48),36,38(47),39,41(46),42,44-pentacosaene
CID 122389532
3,8-phenanthroline
CID 13064691
7H-pyrrolo[2,3-h]isoquinoline
CID 86733878
thieno[2,3-h]isoquinoline
CID 15192975
2,6-naphthyridin-4-ylmethanol
CID 84651029
pyrido[4,3-h]quinazoline
CID 118895264
1H-pyrazolo[4,5-h]isoquinoline
CID 70533280
7-chloro-8-iodoisoquinoline
CID 142740347
1H-pyrrolo[3,2-h]isoquinoline
CID 22622222
2,6-naphthyridine-4-thiol
CID 137209130
isoquinolin-8-ol
CID 135441711

Frequently Asked Questions

What is the IUPAC name of pyrido[3,4-f]phthalazine?
The IUPAC name of pyrido[3,4-f]phthalazine (CID 122577314) is pyrido[3,4-f]phthalazine.
What is the SMILES notation for pyrido[3,4-f]phthalazine?
The canonical SMILES for pyrido[3,4-f]phthalazine is c1cc2ccc3cnncc3c2cn1.
What is the InChIKey of pyrido[3,4-f]phthalazine?
The InChIKey is PXQUHFFVAGPYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-9-5-13-14-7-11(9)10-6-12-4-3-8(1)10/h1-7H.
What are the key properties of pyrido[3,4-f]phthalazine?
pyrido[3,4-f]phthalazine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,4-f]phthalazine is sourced from PubChem (CID 122577314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).