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

C10H17N3O — CID 82442161

IUPAC2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one
SMILESCCn1nc(CNC(C)C)ccc1=O
InChIInChI=1S/C10H17N3O/c1-4-13-10(14)6-5-9(12-13)7-11-8(2)3/h5-6,8,11H,4,7H2,1-3H3
InChIKeyTUYPRBHYXMAMKB-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.76
Rot. Bonds4

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

2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one (PubChem CID 82442161) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one
PubChem CID82442161
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one
SMILESCCn1nc(CNC(C)C)ccc1=O
InChIInChI=1S/C10H17N3O/c1-4-13-10(14)6-5-9(12-13)7-11-8(2)3/h5-6,8,11H,4,7H2,1-3H3
InChIKeyTUYPRBHYXMAMKB-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one?
The IUPAC name of 2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one (CID 82442161) is 2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one is CCn1nc(CNC(C)C)ccc1=O.
What is the InChIKey of 2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one?
The InChIKey is TUYPRBHYXMAMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-13-10(14)6-5-9(12-13)7-11-8(2)3/h5-6,8,11H,4,7H2,1-3H3.
What are the key properties of 2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one?
2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(propan-2-ylamino)methyl]pyridazin-3-one is sourced from PubChem (CID 82442161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).