5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one

C11H17N3O2 — CID 103221824

IUPAC5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CCCO
InChIInChI=1S/C11H17N3O2/c15-5-1-4-14-11(16)6-10(8-13-14)12-7-9-2-3-9/h6,8-9,12,15H,1-5,7H2
InChIKeyRIMGRRLDDQFUFG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds6

About 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one

5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one (PubChem CID 103221824) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
PubChem CID103221824
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CCCO
InChIInChI=1S/C11H17N3O2/c15-5-1-4-14-11(16)6-10(8-13-14)12-7-9-2-3-9/h6,8-9,12,15H,1-5,7H2
InChIKeyRIMGRRLDDQFUFG-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylmethylamino)-2-(3-imidazol-1-ylpropyl)pyridazin-3-one
CID 103221752
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221823
4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
CID 103221934
N-cyclopropyl-2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221777
5-(cyclopropylmethylamino)-2-[2-(2-methylimidazol-1-yl)ethyl]pyridazin-3-one
CID 103221754
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 103221884
5-(cyclopropylmethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 103221865
2-[(4-bromophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221923
2-[(2-chlorophenyl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103221743
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-(cyclopropylmethylamino)pyridazin-3-one
CID 103222013
4-[[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103221819
5-(cyclopropylmethylamino)-2-[(5,5-dimethyloxolan-2-yl)methyl]pyridazin-3-one
CID 103221982

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one (CID 103221824) is 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one is O=c1cc(NCC2CC2)cnn1CCCO.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one?
The InChIKey is RIMGRRLDDQFUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-5-1-4-14-11(16)6-10(8-13-14)12-7-9-2-3-9/h6,8-9,12,15H,1-5,7H2.
What are the key properties of 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one?
5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-(3-hydroxypropyl)pyridazin-3-one is sourced from PubChem (CID 103221824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).