ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride

C9H16ClN5O2 — CID 21485891

IUPACethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride
SMILESCCOC(=O)NNc1ccc(N(C)C)nn1.Cl
InChIInChI=1S/C9H15N5O2.ClH/c1-4-16-9(15)13-11-7-5-6-8(12-10-7)14(2)3;/h5-6H,4H2,1-3H3,(H,10,11)(H,13,15);1H
InChIKeyHTVSZASGJPWTHC-UHFFFAOYSA-N
MW261.71 g/mol
LogP1.04
Rot. Bonds4

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

ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride (PubChem CID 21485891) has the molecular formula C9H16ClN5O2 and a molecular weight of 261.71 g/mol. Its IUPAC name is ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride
PubChem CID21485891
Molecular FormulaC9H16ClN5O2
Molecular Weight261.71 g/mol
Exact Mass261.10
IUPAC Nameethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride
SMILESCCOC(=O)NNc1ccc(N(C)C)nn1.Cl
InChIInChI=1S/C9H15N5O2.ClH/c1-4-16-9(15)13-11-7-5-6-8(12-10-7)14(2)3;/h5-6H,4H2,1-3H3,(H,10,11)(H,13,15);1H
InChIKeyHTVSZASGJPWTHC-UHFFFAOYSA-N
XLogP1.04
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113041308
ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
CID 113044300
ethyl N-(phthalazin-1-ylamino)carbamate;hydrochloride
CID 19604
methyl 6-(dimethylamino)pyridazine-3-carboxylate
CID 121206143
tert-butyl (3E)-3-[[6-(dimethylamino)pyridazin-3-yl]hydrazinylidene]butanoate
CID 13382911
6-(dimethylamino)pyridazine-3-carboxylic acid;hydrochloride
CID 91623623
ethyl N-[6-(3,5-dimethylanilino)pyridazin-3-yl]carbamate
CID 113046451
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
ethyl N-[6-(2-methylanilino)pyridazin-3-yl]carbamate
CID 113045640
ethyl N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041120
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
2-[6-(dimethylamino)pyridazin-3-yl]oxyacetic acid
CID 121205048

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride?
The IUPAC name of ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride (CID 21485891) is ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride.
What is the SMILES notation for ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride?
The canonical SMILES for ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride is CCOC(=O)NNc1ccc(N(C)C)nn1.Cl.
What is the InChIKey of ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride?
The InChIKey is HTVSZASGJPWTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2.ClH/c1-4-16-9(15)13-11-7-5-6-8(12-10-7)14(2)3;/h5-6H,4H2,1-3H3,(H,10,11)(H,13,15);1H.
What are the key properties of ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride?
ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride has a molecular weight of 261.71 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[6-(dimethylamino)pyridazin-3-yl]amino]carbamate;hydrochloride is sourced from PubChem (CID 21485891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).