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

C9H12ClN3O — CID 84679996

IUPAC2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one
SMILESNCCn1nc(C2CC2)cc(Cl)c1=O
InChIInChI=1S/C9H12ClN3O/c10-7-5-8(6-1-2-6)12-13(4-3-11)9(7)14/h5-6H,1-4,11H2
InChIKeyQMPNBTLRXQZYCF-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.73
Rot. Bonds3

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

2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one (PubChem CID 84679996) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one
PubChem CID84679996
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one
SMILESNCCn1nc(C2CC2)cc(Cl)c1=O
InChIInChI=1S/C9H12ClN3O/c10-7-5-8(6-1-2-6)12-13(4-3-11)9(7)14/h5-6H,1-4,11H2
InChIKeyQMPNBTLRXQZYCF-UHFFFAOYSA-N
XLogP0.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802815
2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one
CID 25802979
2-(2-aminoethyl)-6-cyclopropylpyridazin-3(2H)-one
CID 84657004
2-(2-Aminoethyl)-4-chloro-6-methylpyridazin-3-one
CID 84661189
2-(2-Aminoethyl)-4-chloro-6-ethylpyridazin-3-one
CID 84670363
2-(2-Aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one
CID 84681458
6-(1-Aminocyclopropyl)-4-chloro-2-methylpyridazin-3-one
CID 84775525
2-(3-Aminopropyl)-6-cyclopropyl-2,3-dihydropyridazin-3-one
CID 122239449
N-[2-(3-cyclopropyl-6-oxo-1,6-dihydropyridazin-1-yl)ethyl]acetamide
CID 122277955
N-allyl-2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)acetamide
CID 122278694
2-(Azetidin-3-yl)-6-cyclopropyl-2,3-dihydropyridazin-3-one
CID 126857348
2-[(2R)-2-amino-3-methylbutyl]-6-cyclopropylpyridazin-3-one;hydrochloride
CID 175653011

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one (CID 84679996) is 2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one is NCCn1nc(C2CC2)cc(Cl)c1=O.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one?
The InChIKey is QMPNBTLRXQZYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-7-5-8(6-1-2-6)12-13(4-3-11)9(7)14/h5-6H,1-4,11H2.
What are the key properties of 2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one?
2-(2-aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one has a molecular weight of 213.67 g/mol, XLogP of 0.73, 3 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-cyclopropylpyridazin-3-one is sourced from PubChem (CID 84679996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).