2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid

C10H15ClN4O2 — CID 107424760

IUPAC2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)c1ccc(Cl)nn1
InChIInChI=1S/C10H15ClN4O2/c1-14(2)5-6-15(7-10(16)17)9-4-3-8(11)12-13-9/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeyXLXRFYMSNPFZSY-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.58
Rot. Bonds6

About 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid

2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 107424760) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID107424760
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)c1ccc(Cl)nn1
InChIInChI=1S/C10H15ClN4O2/c1-14(2)5-6-15(7-10(16)17)9-4-3-8(11)12-13-9/h3-4H,5-7H2,1-2H3,(H,16,17)
InChIKeyXLXRFYMSNPFZSY-UHFFFAOYSA-N
XLogP0.58
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloropyridazin-3-yl)-(cyclopropylmethyl)amino]acetic acid
CID 43656381
1-(6-chloropyridazin-3-yl)-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
CID 23349928
N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 63701006
2-[(2-amino-2-oxoethyl)-(6-chloropyridazin-3-yl)amino]acetamide
CID 62922304
N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 63698928
3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid
CID 62853490
2-[N-[2-(dimethylamino)ethyl]-4-methylsulfonylanilino]acetic acid
CID 107424920
2-[2-(dimethylamino)ethyl-(3-methyl-4-pyridinyl)amino]acetic acid
CID 107424784
2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
CID 107424767
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
2-[2-bromo-4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]acetic acid
CID 107425014
2-[3-bromo-4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]acetic acid
CID 107424804

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid (CID 107424760) is 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)c1ccc(Cl)nn1.
What is the InChIKey of 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is XLXRFYMSNPFZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-14(2)5-6-15(7-10(16)17)9-4-3-8(11)12-13-9/h3-4H,5-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 258.71 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-3-yl)-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 107424760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).