lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate

C10H7LiN2O3 — CID 130405833

IUPAClithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate
SMILESCc1n[nH]c(=O)c2ccc(C(=O)[O-])cc12.[Li+]
InChIInChI=1S/C10H8N2O3.Li/c1-5-8-4-6(10(14)15)2-3-7(8)9(13)12-11-5;/h2-4H,1H3,(H,12,13)(H,14,15);/q;+1/p-1
InChIKeyVUFIOEPWDHMNNA-UHFFFAOYSA-M
MW210.12 g/mol
LogP-3.40
Rot. Bonds1

About lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate

lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate (PubChem CID 130405833) has the molecular formula C10H7LiN2O3 and a molecular weight of 210.12 g/mol. Its IUPAC name is lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate.

Molecular Properties

Compound Namelithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate
PubChem CID130405833
Molecular FormulaC10H7LiN2O3
Molecular Weight210.12 g/mol
Exact Mass210.06
IUPAC Namelithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate
SMILESCc1n[nH]c(=O)c2ccc(C(=O)[O-])cc12.[Li+]
InChIInChI=1S/C10H8N2O3.Li/c1-5-8-4-6(10(14)15)2-3-7(8)9(13)12-11-5;/h2-4H,1H3,(H,12,13)(H,14,15);/q;+1/p-1
InChIKeyVUFIOEPWDHMNNA-UHFFFAOYSA-M
XLogP-3.40
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 5-3.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-but-1-ynyl-4-methyl-2H-phthalazin-1-one
CID 169220106
7-methyl-4-oxo-3H-phthalazine-1-carboxylic acid
CID 156651039
lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
CID 69188513
dilithium;terephthalate
CID 14361651
terephthalate;vanadium(4+)
CID 157213578
pentasodium;naphthalene-1,2,3,4,6-pentacarboxylate
CID 101297517
4-(4-carboxylato-2-methylphenyl)-3-methylbenzoate
CID 22358461
3-(2-azaniumylethyl)-2-methyl-1H-indole-6-carboxylate
CID 7017038
methyl 4-fluoro-1,3-dimethylisoquinoline-7-carboxylate
CID 67961184
2-[(ethylazaniumyl)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135743720
2-amino-4-methylphthalazin-1-one;4-methyl-2H-phthalazin-1-one
CID 67216012
(2S)-2-(azaniumylmethyl)-4-methyl-2,3-dihydrofuro[3,2-c]quinoline-8-carboxylate
CID 6954728

Frequently Asked Questions

What is the IUPAC name of lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate?
The IUPAC name of lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate (CID 130405833) is lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate.
What is the SMILES notation for lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate?
The canonical SMILES for lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate is Cc1n[nH]c(=O)c2ccc(C(=O)[O-])cc12.[Li+].
What is the InChIKey of lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate?
The InChIKey is VUFIOEPWDHMNNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N2O3.Li/c1-5-8-4-6(10(14)15)2-3-7(8)9(13)12-11-5;/h2-4H,1H3,(H,12,13)(H,14,15);/q;+1/p-1.
What are the key properties of lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate?
lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate has a molecular weight of 210.12 g/mol, XLogP of -3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate is sourced from PubChem (CID 130405833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).