ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate

C12H21N5O3 — CID 2515

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IUPACethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate
SMILESCCOC(=O)NNc1ccc(N(CC)CC(C)O)nn1
InChIInChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)
InChIKeyQLTVVOATEHFXLT-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.76
Rot. Bonds7

About ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate

ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate (PubChem CID 2515) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate
PubChem CID2515
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Nameethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate
SMILESCCOC(=O)NNc1ccc(N(CC)CC(C)O)nn1
InChIInChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)
InChIKeyQLTVVOATEHFXLT-UHFFFAOYSA-N
XLogP0.76
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pildralazine
CID 68829
Pildralazine dihydrochloride
CID 151324
Oxdralazine dihydrochloride
CID 168701
Carbazic acid, 3-(6-((2-hydroxyethyl)methylamino)pyridazin-3-YL)-, ethyl ester
CID 41014
3-(2-Carbethoxyhydrazino)-6-(N-(2-hydroxypropyl)methylamino)pyridazine
CID 41015
Carbazic acid, 3-(6-(diallylamino)pyridazin-3-yl)-, ethyl ester
CID 41016
1-(Ethyl(6-hydrazinylidene-1,6-dihydropyridazin-3-yl)amino)propan-2-ol--hydrogen chloride (1/2)
CID 3043965
Hydrazinecarboxylic acid, 2-(6-(bis(2-hydroxyethyl)amino)-3-pyridazinyl)-, ethyl ester, monohydrochloride
CID 6410474
Acetic acid, 2-(6-((2-hydroxypropyl)methylamino)-3-pyridazinyl)hydrazide
CID 6410527
Acetic acid, 2-(6-(ethyl(2-hydroxypropyl)amino)-3-pyridazinyl)hydrazide
CID 6410528
Propionic acid, 2-(6-((2-hydroxypropyl)methylamino)-3-pyridazinyl)hydrazide
CID 6410529
Propionic acid, 2,2-dimethyl-, 2-(6-((2-hydroxypropyl)methylamino)-3-pyridazinyl)hydrazide
CID 6410530

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate?
The IUPAC name of ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate (CID 2515) is ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate.
What is the SMILES notation for ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate?
The canonical SMILES for ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate is CCOC(=O)NNc1ccc(N(CC)CC(C)O)nn1.
What is the InChIKey of ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate?
The InChIKey is QLTVVOATEHFXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19).
What are the key properties of ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate?
ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate has a molecular weight of 283.33 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate is sourced from PubChem (CID 2515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).