6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane

C18H32N6O — CID 167680258

IUPAC6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane
SMILESC.C=C1C=CC(N)=NN1[C@H](C)CC.CC[C@H](C)n1nc(N)ccc1=O
InChIInChI=1S/C9H15N3.C8H13N3O.CH4/c1-4-7(2)12-8(3)5-6-9(10)11-12;1-3-6(2)11-8(12)5-4-7(9)10-11;/h5-7H,3-4H2,1-2H3,(H2,10,11);4-6H,3H2,1-2H3,(H2,9,10);1H4/t7-;6-;/m10./s1
InChIKeyVKXMDKXFQDEGPF-ANCCZXKVSA-N
MW348.50 g/mol
LogP2.88
Rot. Bonds4

About 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane

6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane (PubChem CID 167680258) has the molecular formula C18H32N6O and a molecular weight of 348.50 g/mol. Its IUPAC name is 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane.

Molecular Properties

Compound Name6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane
PubChem CID167680258
Molecular FormulaC18H32N6O
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Name6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane
SMILESC.C=C1C=CC(N)=NN1[C@H](C)CC.CC[C@H](C)n1nc(N)ccc1=O
InChIInChI=1S/C9H15N3.C8H13N3O.CH4/c1-4-7(2)12-8(3)5-6-9(10)11-12;1-3-6(2)11-8(12)5-4-7(9)10-11;/h5-7H,3-4H2,1-2H3,(H2,10,11);4-6H,3H2,1-2H3,(H2,9,10);1H4/t7-;6-;/m10./s1
InChIKeyVKXMDKXFQDEGPF-ANCCZXKVSA-N
XLogP2.88
TPSA102.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-butan-2-ylpyridazin-3-one
CID 166653549
6-Amino-2-butan-2-ylpyridazin-3-one
CID 166653550
6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one
CID 167580727
6-amino-2-[(2R)-butan-2-yl]pyridazin-3-one;6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;methane
CID 167626900

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane?
The IUPAC name of 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane (CID 167680258) is 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane.
What is the SMILES notation for 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane?
The canonical SMILES for 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane is C.C=C1C=CC(N)=NN1[C@H](C)CC.CC[C@H](C)n1nc(N)ccc1=O.
What is the InChIKey of 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane?
The InChIKey is VKXMDKXFQDEGPF-ANCCZXKVSA-N. The full InChI is InChI=1S/C9H15N3.C8H13N3O.CH4/c1-4-7(2)12-8(3)5-6-9(10)11-12;1-3-6(2)11-8(12)5-4-7(9)10-11;/h5-7H,3-4H2,1-2H3,(H2,10,11);4-6H,3H2,1-2H3,(H2,9,10);1H4/t7-;6-;/m10./s1.
What are the key properties of 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane?
6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane has a molecular weight of 348.50 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(2S)-butan-2-yl]pyridazin-3-one;1-[(2R)-butan-2-yl]-6-methylidenepyridazin-3-amine;methane is sourced from PubChem (CID 167680258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).