1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine

C15H27N5 — CID 63171526

IUPAC1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2nnc(C)c(C)c2CN)C1
InChIInChI=1S/C15H27N5/c1-5-19(6-2)13-7-8-20(10-13)15-14(9-16)11(3)12(4)17-18-15/h13H,5-10,16H2,1-4H3
InChIKeyNSLJVDYEHRLQKT-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine

1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63171526) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63171526
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2nnc(C)c(C)c2CN)C1
InChIInChI=1S/C15H27N5/c1-5-19(6-2)13-7-8-20(10-13)15-14(9-16)11(3)12(4)17-18-15/h13H,5-10,16H2,1-4H3
InChIKeyNSLJVDYEHRLQKT-UHFFFAOYSA-N
XLogP1.47
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine (CID 63171526) is 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2nnc(C)c(C)c2CN)C1.
What is the InChIKey of 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is NSLJVDYEHRLQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-19(6-2)13-7-8-20(10-13)15-14(9-16)11(3)12(4)17-18-15/h13H,5-10,16H2,1-4H3.
What are the key properties of 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine?
1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 277.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63171526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).