N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine

C10H17ClN4 — CID 79660149

IUPACN'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1ccc(Cl)nn1
InChIInChI=1S/C10H17ClN4/c1-10(2,6-12)7-15(3)9-5-4-8(11)13-14-9/h4-5H,6-7,12H2,1-3H3
InChIKeyHINYOWKLIBIFRW-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.55
Rot. Bonds4

About N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine

N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79660149) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79660149
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC NameN'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1ccc(Cl)nn1
InChIInChI=1S/C10H17ClN4/c1-10(2,6-12)7-15(3)9-5-4-8(11)13-14-9/h4-5H,6-7,12H2,1-3H3
InChIKeyHINYOWKLIBIFRW-UHFFFAOYSA-N
XLogP1.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine (CID 79660149) is N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine is CN(CC(C)(C)CN)c1ccc(Cl)nn1.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is HINYOWKLIBIFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-10(2,6-12)7-15(3)9-5-4-8(11)13-14-9/h4-5H,6-7,12H2,1-3H3.
What are the key properties of N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloropyridazin-3-yl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79660149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).