4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one

C10H15ClN4O — CID 114444067

IUPAC4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESNCCNc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C10H15ClN4O/c11-8-5-14-15(6-7-1-2-7)10(16)9(8)13-4-3-12/h5,7,13H,1-4,6,12H2
InChIKeyNCJFTCKNUREOMC-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.68
Rot. Bonds5

About 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one

4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 114444067) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID114444067
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
SMILESNCCNc1c(Cl)cnn(CC2CC2)c1=O
InChIInChI=1S/C10H15ClN4O/c11-8-5-14-15(6-7-1-2-7)10(16)9(8)13-4-3-12/h5,7,13H,1-4,6,12H2
InChIKeyNCJFTCKNUREOMC-UHFFFAOYSA-N
XLogP0.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
5-chloro-2-(cyclopropylmethyl)-4-(5,5,5-trifluoropentylamino)pyridazin-3-one
CID 114440834
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114446799
5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one
CID 114441727
5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104972885
5-chloro-2-(cyclopropylmethyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-2-hydroxypropanamide
CID 106177775
5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
CID 107850449

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one (CID 114444067) is 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one is NCCNc1c(Cl)cnn(CC2CC2)c1=O.
What is the InChIKey of 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is NCJFTCKNUREOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-8-5-14-15(6-7-1-2-7)10(16)9(8)13-4-3-12/h5,7,13H,1-4,6,12H2.
What are the key properties of 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one?
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 242.71 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 114444067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).