N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

C18H17N5O — CID 133355510

IUPACN-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(N(C)Cc3cc4ccccc4o3)nn2)n1
InChIInChI=1S/C18H17N5O/c1-13-9-10-23(21-13)18-8-7-17(19-20-18)22(2)12-15-11-14-5-3-4-6-16(14)24-15/h3-11H,12H2,1-2H3
InChIKeyNGGRLMLOTAZOFH-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.35
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine

N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (PubChem CID 133355510) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
PubChem CID133355510
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
SMILESCc1ccn(-c2ccc(N(C)Cc3cc4ccccc4o3)nn2)n1
InChIInChI=1S/C18H17N5O/c1-13-9-10-23(21-13)18-8-7-17(19-20-18)22(2)12-15-11-14-5-3-4-6-16(14)24-15/h3-11H,12H2,1-2H3
InChIKeyNGGRLMLOTAZOFH-UHFFFAOYSA-N
XLogP3.35
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine (CID 133355510) is N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is Cc1ccn(-c2ccc(N(C)Cc3cc4ccccc4o3)nn2)n1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
The InChIKey is NGGRLMLOTAZOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-9-10-23(21-13)18-8-7-17(19-20-18)22(2)12-15-11-14-5-3-4-6-16(14)24-15/h3-11H,12H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine?
N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine has a molecular weight of 319.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N-methyl-6-(3-methylpyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 133355510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).