5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one

C11H16ClN3O — CID 103742941

IUPAC5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one
SMILESCC(C)C1(CNc2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H16ClN3O/c1-7(2)11(3-4-11)6-13-8-5-14-15-10(16)9(8)12/h5,7H,3-4,6H2,1-2H3,(H2,13,15,16)
InChIKeyFGYXKRPAZBURCB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.27
Rot. Bonds4

About 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one (PubChem CID 103742941) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one
PubChem CID103742941
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one
SMILESCC(C)C1(CNc2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C11H16ClN3O/c1-7(2)11(3-4-11)6-13-8-5-14-15-10(16)9(8)12/h5,7H,3-4,6H2,1-2H3,(H2,13,15,16)
InChIKeyFGYXKRPAZBURCB-UHFFFAOYSA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-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

5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one
CID 105419115
5-chloro-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyridazin-6-one
CID 79479518
5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one
CID 103989620
5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one
CID 114117075
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyridazin-6-one
CID 78966968
5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
CID 80746383
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
5-chloro-4-(3,3-dimethylbutan-2-ylamino)-1H-pyridazin-6-one
CID 104828828
4-[(4-bromophenyl)methylamino]-5-chloro-1H-pyridazin-6-one
CID 78948051
5-chloro-4-[2-(2-methylpropoxy)ethylamino]-1H-pyridazin-6-one
CID 115586247

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one (CID 103742941) is 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one is CC(C)C1(CNc2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is FGYXKRPAZBURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(2)11(3-4-11)6-13-8-5-14-15-10(16)9(8)12/h5,7H,3-4,6H2,1-2H3,(H2,13,15,16).
What are the key properties of 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 241.72 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 103742941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).