4H-pyrido[2,1-a]phthalazine

C12H10N2 — CID 172823650

IUPAC4H-pyrido[2,1-a]phthalazine
SMILESC1=CCN2N=Cc3ccccc3C2=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10(5-1)9-13-14-8-4-3-7-12(11)14/h1-7,9H,8H2
InChIKeyUOGZUTDDFBYRPX-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.25
Rot. Bonds

About 4H-pyrido[2,1-a]phthalazine

4H-pyrido[2,1-a]phthalazine (PubChem CID 172823650) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 4H-pyrido[2,1-a]phthalazine.

Molecular Properties

Compound Name4H-pyrido[2,1-a]phthalazine
PubChem CID172823650
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name4H-pyrido[2,1-a]phthalazine
SMILESC1=CCN2N=Cc3ccccc3C2=C1
InChIInChI=1S/C12H10N2/c1-2-6-11-10(5-1)9-13-14-8-4-3-7-12(11)14/h1-7,9H,8H2
InChIKeyUOGZUTDDFBYRPX-UHFFFAOYSA-N
XLogP2.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-pyrido[2,1-a]phthalazine-8-carboxylic acid
CID 135290327
4H-pyrido[2,1-a]phthalazine-11-carboxylic acid
CID 162350253
6-[2-(2,3-dimethylbutan-2-yl)phenyl]-1-methyl-2H-pyridine
CID 143485899
6-phenyl-2H-pyridine-1-carboxylic acid
CID 68789885
9H-pyrido[2,1-b][1,3]benzothiazin-11-one
CID 67401116
2-(2H-pyridin-1-yl)fluoren-1-one
CID 151478422
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
1-ethenyl-6-naphthalen-2-yl-2H-pyridine
CID 69202048
12-(3-bromopropylidene)-6,8-dihydropyrido[1,2-c][1,3]benzoxazepine
CID 90722369
1H-phthalazin-2-amine
CID 54178795
2-[6-(1H-acridin-10-yl)hexyl]isoindole-1,3-dione
CID 66643398
5-methyl-1H-indeno[2,1-b]indole
CID 173141591

Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[2,1-a]phthalazine?
The IUPAC name of 4H-pyrido[2,1-a]phthalazine (CID 172823650) is 4H-pyrido[2,1-a]phthalazine.
What is the SMILES notation for 4H-pyrido[2,1-a]phthalazine?
The canonical SMILES for 4H-pyrido[2,1-a]phthalazine is C1=CCN2N=Cc3ccccc3C2=C1.
What is the InChIKey of 4H-pyrido[2,1-a]phthalazine?
The InChIKey is UOGZUTDDFBYRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-11-10(5-1)9-13-14-8-4-3-7-12(11)14/h1-7,9H,8H2.
What are the key properties of 4H-pyrido[2,1-a]phthalazine?
4H-pyrido[2,1-a]phthalazine has a molecular weight of 182.23 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[2,1-a]phthalazine is sourced from PubChem (CID 172823650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).