1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea

C11H18ClN5O — CID 23349928

IUPAC1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
SMILESCN(C)CCN(C(=O)N(C)C)c1ccc(Cl)nn1
InChIInChI=1S/C11H18ClN5O/c1-15(2)7-8-17(11(18)16(3)4)10-6-5-9(12)13-14-10/h5-6H,7-8H2,1-4H3
InChIKeyKMJBGKCOXMNWRO-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.18
Rot. Bonds4

About 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea

1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea (PubChem CID 23349928) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
PubChem CID23349928
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
SMILESCN(C)CCN(C(=O)N(C)C)c1ccc(Cl)nn1
InChIInChI=1S/C11H18ClN5O/c1-15(2)7-8-17(11(18)16(3)4)10-6-5-9(12)13-14-10/h5-6H,7-8H2,1-4H3
InChIKeyKMJBGKCOXMNWRO-UHFFFAOYSA-N
XLogP1.18
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63701006
2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107424760
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyridazin-3-ylurea;dihydrochloride
CID 21329146
1-[2-(dimethylamino)ethyl]-3,3-dimethyl-1-pyrimidin-4-ylurea
CID 23349868
N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63698928
1-(6-chloro-4-methyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea
CID 12857653
2-[(2-amino-2-oxoethyl)-(6-chloropyridazin-3-yl)amino]acetamide
CID 62922304
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
1-[2-(dimethylamino)ethyl]-1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylurea;hydrochloride
CID 23349923
1-[(6-chloropyridazin-3-yl)-methylamino]-2-methylpropan-2-ol
CID 79390151
N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine
CID 115319396
1-[2-(dimethylamino)ethyl]-1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-3,3-dimethylurea;dihydrobromide
CID 23349888

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea (CID 23349928) is 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea is CN(C)CCN(C(=O)N(C)C)c1ccc(Cl)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea?
The InChIKey is KMJBGKCOXMNWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-15(2)7-8-17(11(18)16(3)4)10-6-5-9(12)13-14-10/h5-6H,7-8H2,1-4H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea?
1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea has a molecular weight of 271.75 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea is sourced from PubChem (CID 23349928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).