N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine

C18H18N6O — CID 56743928

IUPACN-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine
SMILESCOc1ccc2[nH]c(CNc3ccc(-c4nccn4C)nn3)cc2c1
InChIInChI=1S/C18H18N6O/c1-24-8-7-19-18(24)16-5-6-17(23-22-16)20-11-13-9-12-10-14(25-2)3-4-15(12)21-13/h3-10,21H,11H2,1-2H3,(H,20,23)
InChIKeySYTXNUSTYREZEF-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.98
Rot. Bonds5

About N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine

N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine (PubChem CID 56743928) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine
PubChem CID56743928
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine
SMILESCOc1ccc2[nH]c(CNc3ccc(-c4nccn4C)nn3)cc2c1
InChIInChI=1S/C18H18N6O/c1-24-8-7-19-18(24)16-5-6-17(23-22-16)20-11-13-9-12-10-14(25-2)3-4-15(12)21-13/h3-10,21H,11H2,1-2H3,(H,20,23)
InChIKeySYTXNUSTYREZEF-UHFFFAOYSA-N
XLogP2.98
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine (CID 56743928) is N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine.
What is the SMILES notation for N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The canonical SMILES for N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine is COc1ccc2[nH]c(CNc3ccc(-c4nccn4C)nn3)cc2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The InChIKey is SYTXNUSTYREZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-24-8-7-19-18(24)16-5-6-17(23-22-16)20-11-13-9-12-10-14(25-2)3-4-15(12)21-13/h3-10,21H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine has a molecular weight of 334.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-2-yl)methyl]-6-(1-methylimidazol-2-yl)pyridazin-3-amine is sourced from PubChem (CID 56743928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).