N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine

C19H16N6 — CID 6414863

IUPACN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H16N6/c1-14(15-6-8-17(9-7-15)25-11-10-20-13-25)22-24-19-18-5-3-2-4-16(18)12-21-23-19/h2-13H,1H3,(H,23,24)/b22-14-
InChIKeyKTIFVAXAKJXHBR-HMAPJEAMSA-N
MW328.38 g/mol
LogP3.65
Rot. Bonds4

About N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine

N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine (PubChem CID 6414863) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine
PubChem CID6414863
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC NameN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine
SMILESC/C(=N/Nc1nncc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H16N6/c1-14(15-6-8-17(9-7-15)25-11-10-20-13-25)22-24-19-18-5-3-2-4-16(18)12-21-23-19/h2-13H,1H3,(H,23,24)/b22-14-
InChIKeyKTIFVAXAKJXHBR-HMAPJEAMSA-N
XLogP3.65
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine (CID 6414863) is N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine is C/C(=N/Nc1nncc2ccccc12)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine?
The InChIKey is KTIFVAXAKJXHBR-HMAPJEAMSA-N. The full InChI is InChI=1S/C19H16N6/c1-14(15-6-8-17(9-7-15)25-11-10-20-13-25)22-24-19-18-5-3-2-4-16(18)12-21-23-19/h2-13H,1H3,(H,23,24)/b22-14-.
What are the key properties of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine?
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine has a molecular weight of 328.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6414863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).