2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide

C15H27N5O — CID 80508158

IUPAC2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nnc(CC)c(CC)c1CN
InChIInChI=1S/C15H27N5O/c1-5-11-12(9-16)15(19-18-13(11)6-2)20(8-4)10-14(21)17-7-3/h5-10,16H2,1-4H3,(H,17,21)
InChIKeyXCEWFCVMCVSNGW-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.02
Rot. Bonds8

About 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide

2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide (PubChem CID 80508158) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide
PubChem CID80508158
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nnc(CC)c(CC)c1CN
InChIInChI=1S/C15H27N5O/c1-5-11-12(9-16)15(19-18-13(11)6-2)20(8-4)10-14(21)17-7-3/h5-10,16H2,1-4H3,(H,17,21)
InChIKeyXCEWFCVMCVSNGW-UHFFFAOYSA-N
XLogP1.02
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide (CID 80508158) is 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1nnc(CC)c(CC)c1CN.
What is the InChIKey of 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide?
The InChIKey is XCEWFCVMCVSNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-5-11-12(9-16)15(19-18-13(11)6-2)20(8-4)10-14(21)17-7-3/h5-10,16H2,1-4H3,(H,17,21).
What are the key properties of 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide?
2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide has a molecular weight of 293.42 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 80508158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).