5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one

C14H21N3O2 — CID 103221933

IUPAC5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CC1CCOCC1
InChIInChI=1S/C14H21N3O2/c18-14-7-13(15-8-11-1-2-11)9-16-17(14)10-12-3-5-19-6-4-12/h7,9,11-12,15H,1-6,8,10H2
InChIKeyOBRZVYJOHGBDLZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds5

About 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one

5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (PubChem CID 103221933) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
PubChem CID103221933
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
SMILESO=c1cc(NCC2CC2)cnn1CC1CCOCC1
InChIInChI=1S/C14H21N3O2/c18-14-7-13(15-8-11-1-2-11)9-16-17(14)10-12-3-5-19-6-4-12/h7,9,11-12,15H,1-6,8,10H2
InChIKeyOBRZVYJOHGBDLZ-UHFFFAOYSA-N
XLogP1.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Oxan-2-yl)-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 168963474
5-Amino-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218363
5-(Methylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103218678
5-(Ethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103219120
5-(Cyclopropylamino)-2-[2-(3-methylbutoxy)ethyl]pyridazin-3-one
CID 103219984
2-(Oxan-4-ylmethyl)-5-(propylamino)pyridazin-3-one
CID 103220295
5-(Cyclobutylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103220645
5-(2-Aminoethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221223
2-(4-Methoxybutyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221492
5-(2-Methylpropylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one
CID 103221648
5-(Cyclopropylmethylamino)-2-(4-methoxybutyl)pyridazin-3-one
CID 103221770
5-(Cyclopropylmethylamino)-2-(3-methoxypropyl)pyridazin-3-one
CID 103221772

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one (CID 103221933) is 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is O=c1cc(NCC2CC2)cnn1CC1CCOCC1.
What is the InChIKey of 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
The InChIKey is OBRZVYJOHGBDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14-7-13(15-8-11-1-2-11)9-16-17(14)10-12-3-5-19-6-4-12/h7,9,11-12,15H,1-6,8,10H2.
What are the key properties of 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one?
5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-2-(oxan-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 103221933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).