5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one

C14H21ClN4O — CID 104972885

IUPAC5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
SMILESO=c1c(NCC[C@H]2CCCN2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C14H21ClN4O/c15-12-8-18-19(9-10-3-4-10)14(20)13(12)17-7-5-11-2-1-6-16-11/h8,10-11,16-17H,1-7,9H2/t11-/m1/s1
InChIKeyXJMYGDYBTYOACB-LLVKDONJSA-N
MW296.80 g/mol
LogP1.86
Rot. Bonds6

About 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one (PubChem CID 104972885) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
PubChem CID104972885
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
SMILESO=c1c(NCC[C@H]2CCCN2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C14H21ClN4O/c15-12-8-18-19(9-10-3-4-10)14(20)13(12)17-7-5-11-2-1-6-16-11/h8,10-11,16-17H,1-7,9H2/t11-/m1/s1
InChIKeyXJMYGDYBTYOACB-LLVKDONJSA-N
XLogP1.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
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-(cyclobutylmethyl)-4-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430881
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
5-chloro-2-(cyclopropylmethyl)-4-[(1,1-dioxothiolan-3-yl)methylamino]pyridazin-3-one
CID 114434540
5-chloro-2-(cyclopropylmethyl)-4-[2-(triazol-1-yl)ethylamino]pyridazin-3-one
CID 114441727
5-chloro-2-(cyclopropylmethyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
5-chloro-2-(cyclopropylmethyl)-4-(1H-pyrazol-4-ylmethylamino)pyridazin-3-one
CID 114434219
4-chloro-2-(2-hydroxyethyl)-5-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973221
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one (CID 104972885) is 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one is O=c1c(NCC[C@H]2CCCN2)c(Cl)cnn1CC1CC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
The InChIKey is XJMYGDYBTYOACB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN4O/c15-12-8-18-19(9-10-3-4-10)14(20)13(12)17-7-5-11-2-1-6-16-11/h8,10-11,16-17H,1-7,9H2/t11-/m1/s1.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one has a molecular weight of 296.80 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one is sourced from PubChem (CID 104972885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).