ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride

C11H20ClN5O4 — CID 6410474

IUPACethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride
SMILESCCOC(=O)NNc1ccc(N(CCO)CCO)nn1.Cl
InChIInChI=1S/C11H19N5O4.ClH/c1-2-20-11(19)15-13-9-3-4-10(14-12-9)16(5-7-17)6-8-18;/h3-4,17-18H,2,5-8H2,1H3,(H,12,13)(H,15,19);1H
InChIKeyGSXMWEKXCALRQD-UHFFFAOYSA-N
MW321.77 g/mol
LogP-0.24
Rot. Bonds8

About ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride

ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride (PubChem CID 6410474) has the molecular formula C11H20ClN5O4 and a molecular weight of 321.77 g/mol. Its IUPAC name is ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride
PubChem CID6410474
Molecular FormulaC11H20ClN5O4
Molecular Weight321.77 g/mol
Exact Mass321.12
IUPAC Nameethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride
SMILESCCOC(=O)NNc1ccc(N(CCO)CCO)nn1.Cl
InChIInChI=1S/C11H19N5O4.ClH/c1-2-20-11(19)15-13-9-3-4-10(14-12-9)16(5-7-17)6-8-18;/h3-4,17-18H,2,5-8H2,1H3,(H,12,13)(H,15,19);1H
InChIKeyGSXMWEKXCALRQD-UHFFFAOYSA-N
XLogP-0.24
TPSA119.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Cadralazine
CID 2515
Pildralazine
CID 68829
Pildralazine dihydrochloride
CID 151324
Oxdralazine dihydrochloride
CID 168701
Oxdralazine
CID 28434
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
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

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride?
The IUPAC name of ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride (CID 6410474) is ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride is CCOC(=O)NNc1ccc(N(CCO)CCO)nn1.Cl.
What is the InChIKey of ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride?
The InChIKey is GSXMWEKXCALRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O4.ClH/c1-2-20-11(19)15-13-9-3-4-10(14-12-9)16(5-7-17)6-8-18;/h3-4,17-18H,2,5-8H2,1H3,(H,12,13)(H,15,19);1H.
What are the key properties of ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride?
ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride has a molecular weight of 321.77 g/mol, XLogP of -0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[6-[bis(2-hydroxyethyl)amino]pyridazin-3-yl]amino]carbamate;hydrochloride is sourced from PubChem (CID 6410474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).