[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone

C13H21N5O — CID 104669016

IUPAC[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCNCC1CN
InChIInChI=1S/C13H21N5O/c1-3-12-11(6-9(2)16-17-12)13(19)18-5-4-15-8-10(18)7-14/h6,10,15H,3-5,7-8,14H2,1-2H3
InChIKeyZSZRIAHLCCGOTK-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.28
Rot. Bonds3

About [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone

[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone (PubChem CID 104669016) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
PubChem CID104669016
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
SMILESCCc1nnc(C)cc1C(=O)N1CCNCC1CN
InChIInChI=1S/C13H21N5O/c1-3-12-11(6-9(2)16-17-12)13(19)18-5-4-15-8-10(18)7-14/h6,10,15H,3-5,7-8,14H2,1-2H3
InChIKeyZSZRIAHLCCGOTK-UHFFFAOYSA-N
XLogP-0.28
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671716
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672847
[2-(aminomethyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 113415445
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671599
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-3-yl]acetic acid
CID 104669843
[2-(aminomethyl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674411
(3-chloropyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672468
(3-amino-5-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671650
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104669366
[2-(aminomethyl)piperazin-1-yl]-quinoxalin-5-ylmethanone
CID 104614004
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671254
3-ethyl-6-methyl-N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
CID 104671339

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone (CID 104669016) is [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone is CCc1nnc(C)cc1C(=O)N1CCNCC1CN.
What is the InChIKey of [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone?
The InChIKey is ZSZRIAHLCCGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-12-11(6-9(2)16-17-12)13(19)18-5-4-15-8-10(18)7-14/h6,10,15H,3-5,7-8,14H2,1-2H3.
What are the key properties of [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone?
[2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperazin-1-yl]-(3-ethyl-6-methylpyridazin-4-yl)methanone is sourced from PubChem (CID 104669016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).