1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride

C11H21Cl2N5O — CID 21329146

IUPAC1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride
SMILESCN(C)CCN(C(=O)N(C)C)c1cccnn1.Cl.Cl
InChIInChI=1S/C11H19N5O.2ClH/c1-14(2)8-9-16(11(17)15(3)4)10-6-5-7-12-13-10;;/h5-7H,8-9H2,1-4H3;2*1H
InChIKeyVBQWXTQLXLZUMX-UHFFFAOYSA-N
MW310.23 g/mol
LogP1.37
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride

1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride (PubChem CID 21329146) has the molecular formula C11H21Cl2N5O and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride
PubChem CID21329146
Molecular FormulaC11H21Cl2N5O
Molecular Weight310.23 g/mol
Exact Mass309.11
IUPAC Name1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride
SMILESCN(C)CCN(C(=O)N(C)C)c1cccnn1.Cl.Cl
InChIInChI=1S/C11H19N5O.2ClH/c1-14(2)8-9-16(11(17)15(3)4)10-6-5-7-12-13-10;;/h5-7H,8-9H2,1-4H3;2*1H
InChIKeyVBQWXTQLXLZUMX-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
CID 23349928
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea
CID 23349868
1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride
CID 23349923
N-ethyl-N-methylpyridazin-3-amine
CID 90701393
methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate
CID 94903520
N-(2-bromoethyl)-N-ethylpyridazin-3-amine
CID 80672402
1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide
CID 23349888
1-[3-(benzylamino)-4-(trifluoromethyl)-2-pyridinyl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
CID 70597800
N,N-dimethyl-2-(pyridazin-3-ylamino)acetamide
CID 62482830
3-[ethyl(pyridazin-3-yl)amino]propan-1-ol
CID 115658649
2-[2-methoxyethyl(pyridazin-3-yl)amino]ethanol
CID 115672575
2-[cyclopropyl(pyridazin-3-yl)amino]acetic acid
CID 82239338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride (CID 21329146) is 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride is CN(C)CCN(C(=O)N(C)C)c1cccnn1.Cl.Cl.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride?
The InChIKey is VBQWXTQLXLZUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O.2ClH/c1-14(2)8-9-16(11(17)15(3)4)10-6-5-7-12-13-10;;/h5-7H,8-9H2,1-4H3;2*1H.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride?
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride has a molecular weight of 310.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride is sourced from PubChem (CID 21329146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).