cyclohexanamine;1,2-dihydropyridazine-3,6-dione

C10H17N3O2 — CID 6453611

IUPACcyclohexanamine;1,2-dihydropyridazine-3,6-dione
SMILESNC1CCCCC1.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C6H13N.C4H4N2O2/c7-6-4-2-1-3-5-6;7-3-1-2-4(8)6-5-3/h6H,1-5,7H2;1-2H,(H,5,7)(H,6,8)
InChIKeyDNOPESRYPXXYIL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.34
Rot. Bonds

About cyclohexanamine;1,2-dihydropyridazine-3,6-dione

cyclohexanamine;1,2-dihydropyridazine-3,6-dione (PubChem CID 6453611) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is cyclohexanamine;1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Namecyclohexanamine;1,2-dihydropyridazine-3,6-dione
PubChem CID6453611
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namecyclohexanamine;1,2-dihydropyridazine-3,6-dione
SMILESNC1CCCCC1.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C6H13N.C4H4N2O2/c7-6-4-2-1-3-5-6;7-3-1-2-4(8)6-5-3/h6H,1-5,7H2;1-2H,(H,5,7)(H,6,8)
InChIKeyDNOPESRYPXXYIL-UHFFFAOYSA-N
XLogP0.34
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N'-cyclohexyl-3-methoxyprop-2-enehydrazide
CID 89881199
N'-cyclohexyl-3-methoxyprop-2-enehydrazide
CID 117874125
1-(Cyclohexylamino)pyrrole-2,5-dione
CID 153254283
N'-cyclohexylprop-2-enehydrazide
CID 153764567
1-Cyclohexyl-1,2-dihydropyridazine-3,6-dione
CID 71385091

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;1,2-dihydropyridazine-3,6-dione?
The IUPAC name of cyclohexanamine;1,2-dihydropyridazine-3,6-dione (CID 6453611) is cyclohexanamine;1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for cyclohexanamine;1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for cyclohexanamine;1,2-dihydropyridazine-3,6-dione is NC1CCCCC1.O=c1ccc(=O)[nH][nH]1.
What is the InChIKey of cyclohexanamine;1,2-dihydropyridazine-3,6-dione?
The InChIKey is DNOPESRYPXXYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H4N2O2/c7-6-4-2-1-3-5-6;7-3-1-2-4(8)6-5-3/h6H,1-5,7H2;1-2H,(H,5,7)(H,6,8).
What are the key properties of cyclohexanamine;1,2-dihydropyridazine-3,6-dione?
cyclohexanamine;1,2-dihydropyridazine-3,6-dione has a molecular weight of 211.26 g/mol, XLogP of 0.34, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 6453611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).