5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one

C8H10ClN3O — CID 177361747

IUPAC5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(C2(N)CC2)c(Cl)c1=O
InChIInChI=1S/C8H10ClN3O/c1-12-7(13)6(9)5(4-11-12)8(10)2-3-8/h4H,2-3,10H2,1H3
InChIKeyWANIMSBBFLBKAF-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.38
Rot. Bonds1

About 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one

5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one (PubChem CID 177361747) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one
PubChem CID177361747
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(C2(N)CC2)c(Cl)c1=O
InChIInChI=1S/C8H10ClN3O/c1-12-7(13)6(9)5(4-11-12)8(10)2-3-8/h4H,2-3,10H2,1H3
InChIKeyWANIMSBBFLBKAF-UHFFFAOYSA-N
XLogP0.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Aminoethyl)-4-chloro-2-methylpyridazin-3-one
CID 177361909
5-(1-Aminocyclopropyl)-2-ethylpyridazin-3-one
CID 84767900
6-(1-Aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one
CID 84775525

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one (CID 177361747) is 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one is Cn1ncc(C2(N)CC2)c(Cl)c1=O.
What is the InChIKey of 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one?
The InChIKey is WANIMSBBFLBKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-12-7(13)6(9)5(4-11-12)8(10)2-3-8/h4H,2-3,10H2,1H3.
What are the key properties of 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one?
5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one has a molecular weight of 199.64 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 177361747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).