N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine

C18H19N5 — CID 122557581

IUPACN-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
SMILESCn1ccnc1-c1ccc(NC2(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C18H19N5/c1-23-12-11-19-17(23)15-7-8-16(22-21-15)20-18(9-10-18)13-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3,(H,20,22)
InChIKeyPAABQCCZBWFKEG-UHFFFAOYSA-N
MW305.39 g/mol
LogP3.06
Rot. Bonds5

About N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine

N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine (PubChem CID 122557581) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
PubChem CID122557581
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC NameN-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
SMILESCn1ccnc1-c1ccc(NC2(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C18H19N5/c1-23-12-11-19-17(23)15-7-8-16(22-21-15)20-18(9-10-18)13-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3,(H,20,22)
InChIKeyPAABQCCZBWFKEG-UHFFFAOYSA-N
XLogP3.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The IUPAC name of N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine (CID 122557581) is N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine.
What is the SMILES notation for N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The canonical SMILES for N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine is Cn1ccnc1-c1ccc(NC2(Cc3ccccc3)CC2)nn1.
What is the InChIKey of N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The InChIKey is PAABQCCZBWFKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-23-12-11-19-17(23)15-7-8-16(22-21-15)20-18(9-10-18)13-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3,(H,20,22).
What are the key properties of N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine has a molecular weight of 305.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylcyclopropyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine is sourced from PubChem (CID 122557581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).