6-methyl-2-propylphthalazin-1-one

C12H14N2O — CID 170390564

IUPAC6-methyl-2-propylphthalazin-1-one
SMILESCCCn1ncc2cc(C)ccc2c1=O
InChIInChI=1S/C12H14N2O/c1-3-6-14-12(15)11-5-4-9(2)7-10(11)8-13-14/h4-5,7-8H,3,6H2,1-2H3
InChIKeyMUYGDMKDRABHAI-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.11
Rot. Bonds2

About 6-methyl-2-propylphthalazin-1-one

6-methyl-2-propylphthalazin-1-one (PubChem CID 170390564) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-methyl-2-propylphthalazin-1-one.

Molecular Properties

Compound Name6-methyl-2-propylphthalazin-1-one
PubChem CID170390564
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-methyl-2-propylphthalazin-1-one
SMILESCCCn1ncc2cc(C)ccc2c1=O
InChIInChI=1S/C12H14N2O/c1-3-6-14-12(15)11-5-4-9(2)7-10(11)8-13-14/h4-5,7-8H,3,6H2,1-2H3
InChIKeyMUYGDMKDRABHAI-UHFFFAOYSA-N
XLogP2.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(2,4,6-trimethylphenyl)phthalazin-1-one
CID 166126408
2-(7-methyl-1-oxophthalazin-2-yl)acetic acid
CID 125455649
2-[2-(3-methylanilino)ethyl]phthalazin-1-one
CID 62564352
6-methoxy-2-(2-methylsulfonylethyl)phthalazin-1-one
CID 156767516
4-(6-bromo-1-oxophthalazin-2-yl)butanoic acid
CID 14234843
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
2-ethyl-6,7-dimethoxyphthalazin-1-one
CID 125457648
1-propylindazole
CID 18695497
6-methyl-1-propylquinolin-2-one
CID 122456070
6-bromo-2-methylphthalazin-1-one
CID 71562940

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propylphthalazin-1-one?
The IUPAC name of 6-methyl-2-propylphthalazin-1-one (CID 170390564) is 6-methyl-2-propylphthalazin-1-one.
What is the SMILES notation for 6-methyl-2-propylphthalazin-1-one?
The canonical SMILES for 6-methyl-2-propylphthalazin-1-one is CCCn1ncc2cc(C)ccc2c1=O.
What is the InChIKey of 6-methyl-2-propylphthalazin-1-one?
The InChIKey is MUYGDMKDRABHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-6-14-12(15)11-5-4-9(2)7-10(11)8-13-14/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 6-methyl-2-propylphthalazin-1-one?
6-methyl-2-propylphthalazin-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propylphthalazin-1-one is sourced from PubChem (CID 170390564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).