3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide

C13H22N4O2 — CID 120873070

IUPAC3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)CC(C)N)c1CC
InChIInChI=1S/C13H22N4O2/c1-4-9-10(7-15-12(18)6-8(3)14)13(19)17-16-11(9)5-2/h8H,4-7,14H2,1-3H3,(H,15,18)(H,17,19)
InChIKeyMPCUESPNOCVXPF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.25
Rot. Bonds6

About 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide

3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide (PubChem CID 120873070) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
PubChem CID120873070
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)CC(C)N)c1CC
InChIInChI=1S/C13H22N4O2/c1-4-9-10(7-15-12(18)6-8(3)14)13(19)17-16-11(9)5-2/h8H,4-7,14H2,1-3H3,(H,15,18)(H,17,19)
InChIKeyMPCUESPNOCVXPF-UHFFFAOYSA-N
XLogP0.25
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide (CID 120873070) is 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide is CCc1n[nH]c(=O)c(CNC(=O)CC(C)N)c1CC.
What is the InChIKey of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide?
The InChIKey is MPCUESPNOCVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-9-10(7-15-12(18)6-8(3)14)13(19)17-16-11(9)5-2/h8H,4-7,14H2,1-3H3,(H,15,18)(H,17,19).
What are the key properties of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide?
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide has a molecular weight of 266.34 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide is sourced from PubChem (CID 120873070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).