N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine

C9H17N5 — CID 80508850

IUPACN-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nnccc1CN
InChIInChI=1S/C9H17N5/c1-14(2)6-5-11-9-8(7-10)3-4-12-13-9/h3-4H,5-7,10H2,1-2H3,(H,11,13)
InChIKeyUYIBTJOBGHEBFD-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.09
Rot. Bonds5

About N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine

N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 80508850) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID80508850
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nnccc1CN
InChIInChI=1S/C9H17N5/c1-14(2)6-5-11-9-8(7-10)3-4-12-13-9/h3-4H,5-7,10H2,1-2H3,(H,11,13)
InChIKeyUYIBTJOBGHEBFD-UHFFFAOYSA-N
XLogP-0.09
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine (CID 80508850) is N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nnccc1CN.
What is the InChIKey of N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UYIBTJOBGHEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-14(2)6-5-11-9-8(7-10)3-4-12-13-9/h3-4H,5-7,10H2,1-2H3,(H,11,13).
What are the key properties of N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine?
N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 195.27 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)pyridazin-3-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 80508850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).