N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine

C13H12N6 — CID 95185537

IUPACN-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine
SMILESCn1ccnc1/C=N\Nc1nncc2ccccc12
InChIInChI=1S/C13H12N6/c1-19-7-6-14-12(19)9-16-18-13-11-5-3-2-4-10(11)8-15-17-13/h2-9H,1H3,(H,17,18)/b16-9-
InChIKeyMZQDLMWIIZZIRR-SXGWCWSVSA-N
MW252.28 g/mol
LogP1.81
Rot. Bonds3

About N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine

N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine (PubChem CID 95185537) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine
PubChem CID95185537
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine
SMILESCn1ccnc1/C=N\Nc1nncc2ccccc12
InChIInChI=1S/C13H12N6/c1-19-7-6-14-12(19)9-16-18-13-11-5-3-2-4-10(11)8-15-17-13/h2-9H,1H3,(H,17,18)/b16-9-
InChIKeyMZQDLMWIIZZIRR-SXGWCWSVSA-N
XLogP1.81
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.81
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'}

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Related Compounds

N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine
CID 6845020
N-[(Z)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methylideneamino]phthalazin-1-amine
CID 6416524
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]phthalazin-1-amine
CID 6795834
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine
CID 71820462
N-[(1-methylimidazol-2-yl)methylideneamino]thiophen-2-amine
CID 166749241
N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine
CID 6419536

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine (CID 95185537) is N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine is Cn1ccnc1/C=N\Nc1nncc2ccccc12.
What is the InChIKey of N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine?
The InChIKey is MZQDLMWIIZZIRR-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H12N6/c1-19-7-6-14-12(19)9-16-18-13-11-5-3-2-4-10(11)8-15-17-13/h2-9H,1H3,(H,17,18)/b16-9-.
What are the key properties of N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine?
N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine has a molecular weight of 252.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 95185537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).