2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide

C12H21N5O — CID 113408923

IUPAC2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1nnccc1CN
InChIInChI=1S/C12H21N5O/c1-9(2)7-14-11(18)8-17(3)12-10(6-13)4-5-15-16-12/h4-5,9H,6-8,13H2,1-3H3,(H,14,18)
InChIKeyRZMNRZYGWSBILR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.14
Rot. Bonds6

About 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide

2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 113408923) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID113408923
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)c1nnccc1CN
InChIInChI=1S/C12H21N5O/c1-9(2)7-14-11(18)8-17(3)12-10(6-13)4-5-15-16-12/h4-5,9H,6-8,13H2,1-3H3,(H,14,18)
InChIKeyRZMNRZYGWSBILR-UHFFFAOYSA-N
XLogP0.14
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-methyl-N-(2-methylpropyl)pyridazin-3-amine
CID 80507390
4-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridazin-3-amine
CID 80509129
2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide
CID 80509081
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
2-[[4-(aminomethyl)pyridazin-3-yl]-ethylamino]acetamide
CID 103101216
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-(2-methylpropyl)acetamide
CID 103078834
N'-[4-(aminomethyl)pyridazin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80508976
2-[(3-bromo-4-pyridinyl)-methylamino]-N-(2-methylpropyl)acetamide
CID 104778623
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107878631
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
CID 79873585
4-(aminomethyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridazin-3-amine
CID 80509001
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 80507368

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide (CID 113408923) is 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)c1nnccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is RZMNRZYGWSBILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(2)7-14-11(18)8-17(3)12-10(6-13)4-5-15-16-12/h4-5,9H,6-8,13H2,1-3H3,(H,14,18).
What are the key properties of 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide?
2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)pyridazin-3-yl]-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113408923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).