N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine

C18H21N5O — CID 6795834

IUPACN-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine
SMILESCOCCn1c(C)cc(C=NNc2nncc3ccccc23)c1C
InChIInChI=1S/C18H21N5O/c1-13-10-16(14(2)23(13)8-9-24-3)12-20-22-18-17-7-5-4-6-15(17)11-19-21-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,22)
InChIKeyLHQLIEHYLCVVKP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.14
Rot. Bonds6

About N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine

N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine (PubChem CID 6795834) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine
PubChem CID6795834
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine
SMILESCOCCn1c(C)cc(C=NNc2nncc3ccccc23)c1C
InChIInChI=1S/C18H21N5O/c1-13-10-16(14(2)23(13)8-9-24-3)12-20-22-18-17-7-5-4-6-15(17)11-19-21-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,22)
InChIKeyLHQLIEHYLCVVKP-UHFFFAOYSA-N
XLogP3.14
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine
CID 95185537
N'-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]oxamide
CID 4020093
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
3-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 4044155
1-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 5021371
2,3-dimethoxy-6-[(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6795285
2,3-dimethoxy-6-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6412287
4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide
CID 38114717
N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine
CID 71820462
2-methoxy-5-[(phthalazin-1-ylhydrazinylidene)methyl]phenol
CID 6799193

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine (CID 6795834) is N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine is COCCn1c(C)cc(C=NNc2nncc3ccccc23)c1C.
What is the InChIKey of N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine?
The InChIKey is LHQLIEHYLCVVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-10-16(14(2)23(13)8-9-24-3)12-20-22-18-17-7-5-4-6-15(17)11-19-21-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,22).
What are the key properties of N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine?
N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine has a molecular weight of 323.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6795834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).