2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one

C14H17ClN4O — CID 114395577

IUPAC2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(Cc2ccnc(Cl)c2)c(=O)c1
InChIInChI=1S/C14H17ClN4O/c1-3-18(4-2)12-8-14(20)19(17-9-12)10-11-5-6-16-13(15)7-11/h5-9H,3-4,10H2,1-2H3
InChIKeyFOLGYVGKLPIOAW-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.19
Rot. Bonds5

About 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one

2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one (PubChem CID 114395577) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one
PubChem CID114395577
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(Cc2ccnc(Cl)c2)c(=O)c1
InChIInChI=1S/C14H17ClN4O/c1-3-18(4-2)12-8-14(20)19(17-9-12)10-11-5-6-16-13(15)7-11/h5-9H,3-4,10H2,1-2H3
InChIKeyFOLGYVGKLPIOAW-UHFFFAOYSA-N
XLogP2.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one (CID 114395577) is 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one is CCN(CC)c1cnn(Cc2ccnc(Cl)c2)c(=O)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one?
The InChIKey is FOLGYVGKLPIOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-18(4-2)12-8-14(20)19(17-9-12)10-11-5-6-16-13(15)7-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one?
2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)methyl]-5-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 114395577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).