N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine

C12H12N4 — CID 127051481

IUPACN-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine
SMILESC(=N/Nc1nncc2ccccc12)\C1CC1
InChIInChI=1S/C12H12N4/c1-2-4-11-10(3-1)8-14-16-12(11)15-13-7-9-5-6-9/h1-4,7-9H,5-6H2,(H,15,16)/b13-7+
InChIKeyNHBFJYLAFBASNC-NTUHNPAUSA-N
MW212.26 g/mol
LogP2.44
Rot. Bonds3

About N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine

N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine (PubChem CID 127051481) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine
PubChem CID127051481
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC NameN-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine
SMILESC(=N/Nc1nncc2ccccc12)\C1CC1
InChIInChI=1S/C12H12N4/c1-2-4-11-10(3-1)8-14-16-12(11)15-13-7-9-5-6-9/h1-4,7-9H,5-6H2,(H,15,16)/b13-7+
InChIKeyNHBFJYLAFBASNC-NTUHNPAUSA-N
XLogP2.44
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine (CID 127051481) is N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine is C(=N/Nc1nncc2ccccc12)\C1CC1.
What is the InChIKey of N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine?
The InChIKey is NHBFJYLAFBASNC-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-4-11-10(3-1)8-14-16-12(11)15-13-7-9-5-6-9/h1-4,7-9H,5-6H2,(H,15,16)/b13-7+.
What are the key properties of N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine?
N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine has a molecular weight of 212.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclopropylmethylideneamino]phthalazin-1-amine is sourced from PubChem (CID 127051481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).