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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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
CID 56743334
6-(1-methylimidazol-2-yl)-N-(2-pyridin-3-yloxypropyl)pyridazin-3-amine
CID 56739047
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56759598
6-(1-methylimidazol-2-yl)-N-(1-thiophen-3-ylpropan-2-yl)pyridazin-3-amine
CID 56756516
3-(1-methylimidazol-2-yl)-6-(4-phenoxyphenyl)pyridazine
CID 119066143
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 56759030
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 56745745
2-[4-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]phenyl]ethanamine
CID 162637660
6-(1-methylimidazol-2-yl)-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]pyridazin-3-amine
CID 95486508
[(3S)-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 95221850
3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine
CID 121497129
ethane;1-methyl-2-phenylimidazole
CID 142155183

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).