5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one

C10H16ClN3O2 — CID 79033864

IUPAC5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
SMILESCOCC(Nc1cn[nH]c(=O)c1Cl)C(C)C
InChIInChI=1S/C10H16ClN3O2/c1-6(2)8(5-16-3)13-7-4-12-14-10(15)9(7)11/h4,6,8H,5H2,1-3H3,(H2,13,14,15)
InChIKeyVIVIAQOSIMPWLX-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.51
Rot. Bonds5

About 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one

5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one (PubChem CID 79033864) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
PubChem CID79033864
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
SMILESCOCC(Nc1cn[nH]c(=O)c1Cl)C(C)C
InChIInChI=1S/C10H16ClN3O2/c1-6(2)8(5-16-3)13-7-4-12-14-10(15)9(7)11/h4,6,8H,5H2,1-3H3,(H2,13,14,15)
InChIKeyVIVIAQOSIMPWLX-UHFFFAOYSA-N
XLogP1.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one (CID 79033864) is 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one is COCC(Nc1cn[nH]c(=O)c1Cl)C(C)C.
What is the InChIKey of 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one?
The InChIKey is VIVIAQOSIMPWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-6(2)8(5-16-3)13-7-4-12-14-10(15)9(7)11/h4,6,8H,5H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one has a molecular weight of 245.71 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 79033864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).