2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine

C15H28N6 — CID 62886758

IUPAC2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1nnc(N2CCN(CCN(C)C)CC2)c(CN)c1C
InChIInChI=1S/C15H28N6/c1-12-13(2)17-18-15(14(12)11-16)21-9-7-20(8-10-21)6-5-19(3)4/h5-11,16H2,1-4H3
InChIKeyVZRWZHXNGZDSKY-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.24
Rot. Bonds5

About 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62886758) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62886758
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1nnc(N2CCN(CCN(C)C)CC2)c(CN)c1C
InChIInChI=1S/C15H28N6/c1-12-13(2)17-18-15(14(12)11-16)21-9-7-20(8-10-21)6-5-19(3)4/h5-11,16H2,1-4H3
InChIKeyVZRWZHXNGZDSKY-UHFFFAOYSA-N
XLogP0.24
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 62886758) is 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine is Cc1nnc(N2CCN(CCN(C)C)CC2)c(CN)c1C.
What is the InChIKey of 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is VZRWZHXNGZDSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-12-13(2)17-18-15(14(12)11-16)21-9-7-20(8-10-21)6-5-19(3)4/h5-11,16H2,1-4H3.
What are the key properties of 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 292.43 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62886758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).