2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione

C11H17N3O2 — CID 43428552

IUPAC2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione
SMILESNCC1CCCCC1n1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O2/c12-7-8-3-1-2-4-9(8)14-11(16)6-5-10(15)13-14/h5-6,8-9H,1-4,7,12H2,(H,13,15)
InChIKeyRHGGBLDQOXYJQE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.23
Rot. Bonds2

About 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione

2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione (PubChem CID 43428552) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione
PubChem CID43428552
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione
SMILESNCC1CCCCC1n1[nH]c(=O)ccc1=O
InChIInChI=1S/C11H17N3O2/c12-7-8-3-1-2-4-9(8)14-11(16)6-5-10(15)13-14/h5-6,8-9H,1-4,7,12H2,(H,13,15)
InChIKeyRHGGBLDQOXYJQE-UHFFFAOYSA-N
XLogP0.23
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione (CID 43428552) is 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione is NCC1CCCCC1n1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione?
The InChIKey is RHGGBLDQOXYJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-7-8-3-1-2-4-9(8)14-11(16)6-5-10(15)13-14/h5-6,8-9H,1-4,7,12H2,(H,13,15).
What are the key properties of 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione?
2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione has a molecular weight of 223.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cyclohexyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43428552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).