5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one

C13H19N5O — CID 72938277

IUPAC5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one
SMILESCc1cnn(CCCn2ncc(N(C)C)cc2=O)c1
InChIInChI=1S/C13H19N5O/c1-11-8-14-17(10-11)5-4-6-18-13(19)7-12(9-15-18)16(2)3/h7-10H,4-6H2,1-3H3
InChIKeyGKQDPEQIVKLBMC-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.90
Rot. Bonds5

About 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one

5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one (PubChem CID 72938277) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one
PubChem CID72938277
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one
SMILESCc1cnn(CCCn2ncc(N(C)C)cc2=O)c1
InChIInChI=1S/C13H19N5O/c1-11-8-14-17(10-11)5-4-6-18-13(19)7-12(9-15-18)16(2)3/h7-10H,4-6H2,1-3H3
InChIKeyGKQDPEQIVKLBMC-UHFFFAOYSA-N
XLogP0.90
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 77093642
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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one (CID 72938277) is 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one is Cc1cnn(CCCn2ncc(N(C)C)cc2=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one?
The InChIKey is GKQDPEQIVKLBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-11-8-14-17(10-11)5-4-6-18-13(19)7-12(9-15-18)16(2)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one?
5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one has a molecular weight of 261.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 72938277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).