1,7-dimethoxyphthalazine

C10H10N2O2 — CID 119093543

IUPAC1,7-dimethoxyphthalazine
SMILESCOc1ccc2cnnc(OC)c2c1
InChIInChI=1S/C10H10N2O2/c1-13-8-4-3-7-6-11-12-10(14-2)9(7)5-8/h3-6H,1-2H3
InChIKeyHUWWFKJTRCVLSG-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.65
Rot. Bonds2

About 1,7-dimethoxyphthalazine

1,7-dimethoxyphthalazine (PubChem CID 119093543) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1,7-dimethoxyphthalazine.

Molecular Properties

Compound Name1,7-dimethoxyphthalazine
PubChem CID119093543
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1,7-dimethoxyphthalazine
SMILESCOc1ccc2cnnc(OC)c2c1
InChIInChI=1S/C10H10N2O2/c1-13-8-4-3-7-6-11-12-10(14-2)9(7)5-8/h3-6H,1-2H3
InChIKeyHUWWFKJTRCVLSG-UHFFFAOYSA-N
XLogP1.65
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-7-methoxyphthalazine
CID 15271578
7-chloro-1-methoxypyrido[3,4-d]pyridazine
CID 156527015
6-methoxyphthalazin-1-amine
CID 130119690
4-bromo-6-methoxycinnoline
CID 53415017
4,6-dimethoxycinnoline
CID 134989956
tert-butyl [4-[(7-methoxyphthalazin-1-yl)oxymethyl]piperidin-1-yl] carbonate
CID 67065380
7-fluoro-N-(4-methoxyphenyl)-N-methylphthalazin-1-amine
CID 59242088
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
3,4-difluoro-2,7-dimethoxyquinoline
CID 90118253
3-fluoro-7-methoxyisoquinoline
CID 131700060
3-chloro-7-methoxyisoquinoline
CID 53425565
7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine
CID 167763853

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethoxyphthalazine?
The IUPAC name of 1,7-dimethoxyphthalazine (CID 119093543) is 1,7-dimethoxyphthalazine.
What is the SMILES notation for 1,7-dimethoxyphthalazine?
The canonical SMILES for 1,7-dimethoxyphthalazine is COc1ccc2cnnc(OC)c2c1.
What is the InChIKey of 1,7-dimethoxyphthalazine?
The InChIKey is HUWWFKJTRCVLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-13-8-4-3-7-6-11-12-10(14-2)9(7)5-8/h3-6H,1-2H3.
What are the key properties of 1,7-dimethoxyphthalazine?
1,7-dimethoxyphthalazine has a molecular weight of 190.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethoxyphthalazine is sourced from PubChem (CID 119093543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).