3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine

C13H20Cl2N4 — CID 106620751

IUPAC3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine
SMILESCC(C)CN(CC1CCCN1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-9(2)7-19(8-10-4-3-5-16-10)11-6-12(14)17-18-13(11)15/h6,9-10,16H,3-5,7-8H2,1-2H3
InChIKeyIPMATEJBIWYQPZ-UHFFFAOYSA-N
MW303.24 g/mol
LogP3.00
Rot. Bonds5

About 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine

3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine (PubChem CID 106620751) has the molecular formula C13H20Cl2N4 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine
PubChem CID106620751
Molecular FormulaC13H20Cl2N4
Molecular Weight303.24 g/mol
Exact Mass302.11
IUPAC Name3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine
SMILESCC(C)CN(CC1CCCN1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C13H20Cl2N4/c1-9(2)7-19(8-10-4-3-5-16-10)11-6-12(14)17-18-13(11)15/h6,9-10,16H,3-5,7-8H2,1-2H3
InChIKeyIPMATEJBIWYQPZ-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620787
2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620604
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106620669
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 106620738
3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyrazine-2-carboxamide
CID 106620765
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620797
4-methyl-N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620616
3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620585
N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106620644
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine (CID 106620751) is 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine is CC(C)CN(CC1CCCN1)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine?
The InChIKey is IPMATEJBIWYQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N4/c1-9(2)7-19(8-10-4-3-5-16-10)11-6-12(14)17-18-13(11)15/h6,9-10,16H,3-5,7-8H2,1-2H3.
What are the key properties of 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine?
3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine has a molecular weight of 303.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine is sourced from PubChem (CID 106620751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).