2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one

C9H15N3O2 — CID 105061447

IUPAC2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(C(C)(C)CN)n1
InChIInChI=1S/C9H15N3O2/c1-9(2,6-10)12-8(13)5-4-7(11-12)14-3/h4-5H,6,10H2,1-3H3
InChIKeyWSKYNEBPWBRUTN-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.05
Rot. Bonds3

About 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one

2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one (PubChem CID 105061447) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one
PubChem CID105061447
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(C(C)(C)CN)n1
InChIInChI=1S/C9H15N3O2/c1-9(2,6-10)12-8(13)5-4-7(11-12)14-3/h4-5H,6,10H2,1-3H3
InChIKeyWSKYNEBPWBRUTN-UHFFFAOYSA-N
XLogP-0.05
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one
CID 105061442
2-[2-(Aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073140
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509
2-[2-(Ethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105061618
2-[2-(Ethylamino)propyl]-6-methoxypyridazin-3-one
CID 105061619
6-Methoxy-2-[2-(propylamino)propyl]pyridazin-3-one
CID 105061620
6-Methoxy-2-[2-(propylamino)ethyl]pyridazin-3-one
CID 105061621
2-[2-(Tert-butylamino)ethyl]-6-methoxypyridazin-3-one
CID 105061626
2-(2-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061636
6-Methoxy-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 105061642
2-[2-(Cyclopropylamino)ethyl]-6-methoxypyridazin-3-one
CID 105061643

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one (CID 105061447) is 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(C(C)(C)CN)n1.
What is the InChIKey of 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one?
The InChIKey is WSKYNEBPWBRUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,6-10)12-8(13)5-4-7(11-12)14-3/h4-5H,6,10H2,1-3H3.
What are the key properties of 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one?
2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropan-2-yl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).