4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one

C14H17ClN4O2 — CID 114437534

IUPAC4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2ccnc(OC)c2)c(Cl)c1=O
InChIInChI=1S/C14H17ClN4O2/c1-3-6-19-14(20)13(15)11(9-18-19)17-8-10-4-5-16-12(7-10)21-2/h4-5,7,9,17H,3,6,8H2,1-2H3
InChIKeySXXJLKOZGLPYKV-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.32
Rot. Bonds6

About 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one

4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114437534) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one
PubChem CID114437534
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2ccnc(OC)c2)c(Cl)c1=O
InChIInChI=1S/C14H17ClN4O2/c1-3-6-19-14(20)13(15)11(9-18-19)17-8-10-4-5-16-12(7-10)21-2/h4-5,7,9,17H,3,6,8H2,1-2H3
InChIKeySXXJLKOZGLPYKV-UHFFFAOYSA-N
XLogP2.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one (CID 114437534) is 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCc2ccnc(OC)c2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is SXXJLKOZGLPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-3-6-19-14(20)13(15)11(9-18-19)17-8-10-4-5-16-12(7-10)21-2/h4-5,7,9,17H,3,6,8H2,1-2H3.
What are the key properties of 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one?
4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 308.77 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114437534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).