6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one

C10H17N3O — CID 62923541

IUPAC6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCNC(C)C)n1
InChIInChI=1S/C10H17N3O/c1-8(2)11-6-7-13-10(14)5-4-9(3)12-13/h4-5,8,11H,6-7H2,1-3H3
InChIKeyIFKCWGQSUAXLNY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds4

About 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one

6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one (PubChem CID 62923541) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
PubChem CID62923541
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CCNC(C)C)n1
InChIInChI=1S/C10H17N3O/c1-8(2)11-6-7-13-10(14)5-4-9(3)12-13/h4-5,8,11H,6-7H2,1-3H3
InChIKeyIFKCWGQSUAXLNY-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one (CID 62923541) is 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one is Cc1ccc(=O)n(CCNC(C)C)n1.
What is the InChIKey of 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one?
The InChIKey is IFKCWGQSUAXLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)11-6-7-13-10(14)5-4-9(3)12-13/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one?
6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62923541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).