2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one

C7H10ClN3O — CID 84661189

IUPAC2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one
SMILESCc1cc(Cl)c(=O)n(CCN)n1
InChIInChI=1S/C7H10ClN3O/c1-5-4-6(8)7(12)11(10-5)3-2-9/h4H,2-3,9H2,1H3
InChIKeyBLALYBFOMVVBKV-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.16
Rot. Bonds2

About 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one

2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one (PubChem CID 84661189) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one
PubChem CID84661189
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one
SMILESCc1cc(Cl)c(=O)n(CCN)n1
InChIInChI=1S/C7H10ClN3O/c1-5-4-6(8)7(12)11(10-5)3-2-9/h4H,2-3,9H2,1H3
InChIKeyBLALYBFOMVVBKV-UHFFFAOYSA-N
XLogP0.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminoethyl)-6-methylpyridazin-3(2H)-one
CID 13103485
2-[2-(Ethylamino)ethyl]-6-methylpyridazin-3-one
CID 62923357
6-Methyl-2-[2-(methylamino)ethyl]pyridazin-3-one
CID 62923365
2-(2-Aminobutyl)-6-methylpyridazin-3-one
CID 62923371
6-Methyl-2-[2-(methylamino)propyl]pyridazin-3-one
CID 62923532
6-Methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
2-(2-Aminopropyl)-6-methylpyridazin-3-one
CID 62923552
6-Methyl-2-[2-(propylamino)ethyl]pyridazin-3-one
CID 62923557
2-(3-Methyl-6-oxopyridazin-1-yl)acetamide
CID 62924257
6-Methyl-2-[2-(prop-2-enylamino)ethyl]pyridazin-3-one
CID 62926362
2-(1-Aminopropan-2-yl)-6-methylpyridazin-3-one
CID 82167961
6-(Aminomethyl)-2-ethylpyridazin-3-one
CID 82442177

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one (CID 84661189) is 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one is Cc1cc(Cl)c(=O)n(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one?
The InChIKey is BLALYBFOMVVBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-5-4-6(8)7(12)11(10-5)3-2-9/h4H,2-3,9H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one?
2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one has a molecular weight of 187.63 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloro-6-methylpyridazin-3-one is sourced from PubChem (CID 84661189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).