2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one

C12H19N3O — CID 62925137

IUPAC2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCNC2CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-10-6-7-12(16)15(14-10)9-8-13-11-4-2-3-5-11/h6-7,11,13H,2-5,8-9H2,1H3
InChIKeyNCIGSOCBZSCJTI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.08
Rot. Bonds4

About 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one

2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one (PubChem CID 62925137) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one
PubChem CID62925137
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCNC2CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-10-6-7-12(16)15(14-10)9-8-13-11-4-2-3-5-11/h6-7,11,13H,2-5,8-9H2,1H3
InChIKeyNCIGSOCBZSCJTI-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one (CID 62925137) is 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCNC2CCCC2)n1.
What is the InChIKey of 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one?
The InChIKey is NCIGSOCBZSCJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-6-7-12(16)15(14-10)9-8-13-11-4-2-3-5-11/h6-7,11,13H,2-5,8-9H2,1H3.
What are the key properties of 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one?
2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62925137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).