4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one

C11H16ClN3O — CID 47174426

IUPAC4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one
SMILESCn1ncc(NCC2CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O/c1-15-11(16)10(12)9(7-14-15)13-6-8-4-2-3-5-8/h7-8,13H,2-6H2,1H3
InChIKeyTVXHHRAUPWZJRX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.04
Rot. Bonds3

About 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one

4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one (PubChem CID 47174426) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one
PubChem CID47174426
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one
SMILESCn1ncc(NCC2CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O/c1-15-11(16)10(12)9(7-14-15)13-6-8-4-2-3-5-8/h7-8,13H,2-6H2,1H3
InChIKeyTVXHHRAUPWZJRX-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one (CID 47174426) is 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one is Cn1ncc(NCC2CCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one?
The InChIKey is TVXHHRAUPWZJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-15-11(16)10(12)9(7-14-15)13-6-8-4-2-3-5-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one?
4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one has a molecular weight of 241.72 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclopentylmethylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 47174426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).