5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one

C15H26N4O2 — CID 103219403

IUPAC5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)Nc1cnn(CC2CN(C(C)C)CCO2)c(=O)c1
InChIInChI=1S/C15H26N4O2/c1-11(2)17-13-7-15(20)19(16-8-13)10-14-9-18(12(3)4)5-6-21-14/h7-8,11-12,14,17H,5-6,9-10H2,1-4H3
InChIKeyJFGANWDQMXELRT-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.17
Rot. Bonds5

About 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one

5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one (PubChem CID 103219403) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
PubChem CID103219403
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)Nc1cnn(CC2CN(C(C)C)CCO2)c(=O)c1
InChIInChI=1S/C15H26N4O2/c1-11(2)17-13-7-15(20)19(16-8-13)10-14-9-18(12(3)4)5-6-21-14/h7-8,11-12,14,17H,5-6,9-10H2,1-4H3
InChIKeyJFGANWDQMXELRT-UHFFFAOYSA-N
XLogP1.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one (CID 103219403) is 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one is CC(C)Nc1cnn(CC2CN(C(C)C)CCO2)c(=O)c1.
What is the InChIKey of 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
The InChIKey is JFGANWDQMXELRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)17-13-7-15(20)19(16-8-13)10-14-9-18(12(3)4)5-6-21-14/h7-8,11-12,14,17H,5-6,9-10H2,1-4H3.
What are the key properties of 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one?
5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylamino)-2-[(4-propan-2-ylmorpholin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 103219403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).