(Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide

C18H18N4O — CID 170014501

IUPAC(Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide
SMILESC=Cc1nnc(/C(=C/N)C(N)=O)cc1C1C[C@@H]1c1ccccc1
InChIInChI=1S/C18H18N4O/c1-2-16-14(9-17(22-21-16)15(10-19)18(20)23)13-8-12(13)11-6-4-3-5-7-11/h2-7,9-10,12-13H,1,8,19H2,(H2,20,23)/b15-10-/t12-,13?/m1/s1
InChIKeyZUIGTRLSSNRYNI-SRDRGYASSA-N
MW306.37 g/mol
LogP2.18
Rot. Bonds5

About (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide

(Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide (PubChem CID 170014501) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide
PubChem CID170014501
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide
SMILESC=Cc1nnc(/C(=C/N)C(N)=O)cc1C1C[C@@H]1c1ccccc1
InChIInChI=1S/C18H18N4O/c1-2-16-14(9-17(22-21-16)15(10-19)18(20)23)13-8-12(13)11-6-4-3-5-7-11/h2-7,9-10,12-13H,1,8,19H2,(H2,20,23)/b15-10-/t12-,13?/m1/s1
InChIKeyZUIGTRLSSNRYNI-SRDRGYASSA-N
XLogP2.18
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide?
The IUPAC name of (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide (CID 170014501) is (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide is C=Cc1nnc(/C(=C/N)C(N)=O)cc1C1C[C@@H]1c1ccccc1.
What is the InChIKey of (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide?
The InChIKey is ZUIGTRLSSNRYNI-SRDRGYASSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-16-14(9-17(22-21-16)15(10-19)18(20)23)13-8-12(13)11-6-4-3-5-7-11/h2-7,9-10,12-13H,1,8,19H2,(H2,20,23)/b15-10-/t12-,13?/m1/s1.
What are the key properties of (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide?
(Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide is sourced from PubChem (CID 170014501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).