2-[2-(cyclohexylamino)ethyl]pyridazin-3-one

C12H19N3O — CID 62849271

IUPAC2-[2-(cyclohexylamino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNC1CCCCC1
InChIInChI=1S/C12H19N3O/c16-12-7-4-8-14-15(12)10-9-13-11-5-2-1-3-6-11/h4,7-8,11,13H,1-3,5-6,9-10H2
InChIKeyCCUUAOODAPKWNU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.17
Rot. Bonds4

About 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one

2-[2-(cyclohexylamino)ethyl]pyridazin-3-one (PubChem CID 62849271) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)ethyl]pyridazin-3-one
PubChem CID62849271
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[2-(cyclohexylamino)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCNC1CCCCC1
InChIInChI=1S/C12H19N3O/c16-12-7-4-8-14-15(12)10-9-13-11-5-2-1-3-6-11/h4,7-8,11,13H,1-3,5-6,9-10H2
InChIKeyCCUUAOODAPKWNU-UHFFFAOYSA-N
XLogP1.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one (CID 62849271) is 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one is O=c1cccnn1CCNC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one?
The InChIKey is CCUUAOODAPKWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12-7-4-8-14-15(12)10-9-13-11-5-2-1-3-6-11/h4,7-8,11,13H,1-3,5-6,9-10H2.
What are the key properties of 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one?
2-[2-(cyclohexylamino)ethyl]pyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62849271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).