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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Related Compounds

4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114437531
4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24656839
2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one
CID 114433970
4-bromo-5-[(2-methoxy-4-pyridinyl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114437528
4-[[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]methyl]-N,N-dipropylbenzamide
CID 172746090
4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 106373847
4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one
CID 154277463
1-(2-methoxy-4-pyridinyl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 114555758
5-[(5-bromo-2-fluorophenyl)methylamino]-4-chloro-2-propylpyridazin-3-one
CID 114435119
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
CID 62996104

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).