3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine

C14H20N4O — CID 116970867

IUPAC3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine
SMILESCc1ccc(-c2ccc(NC(C)(C)CCN)nn2)o1
InChIInChI=1S/C14H20N4O/c1-10-4-6-12(19-10)11-5-7-13(18-17-11)16-14(2,3)8-9-15/h4-7H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyRDQUKHHETOIWTP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.58
Rot. Bonds5

About 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine

3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine (PubChem CID 116970867) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine
PubChem CID116970867
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine
SMILESCc1ccc(-c2ccc(NC(C)(C)CCN)nn2)o1
InChIInChI=1S/C14H20N4O/c1-10-4-6-12(19-10)11-5-7-13(18-17-11)16-14(2,3)8-9-15/h4-7H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyRDQUKHHETOIWTP-UHFFFAOYSA-N
XLogP2.58
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine (CID 116970867) is 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine is Cc1ccc(-c2ccc(NC(C)(C)CCN)nn2)o1.
What is the InChIKey of 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine?
The InChIKey is RDQUKHHETOIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-4-6-12(19-10)11-5-7-13(18-17-11)16-14(2,3)8-9-15/h4-7H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine?
3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-[6-(5-methylfuran-2-yl)pyridazin-3-yl]butane-1,3-diamine is sourced from PubChem (CID 116970867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).