1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea

C15H19N5O3 — CID 154764880

IUPAC1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea
SMILESCCCOc1ccc(CNC(=O)Nc2ccc(=O)n(C)n2)cn1
InChIInChI=1S/C15H19N5O3/c1-3-8-23-13-6-4-11(9-16-13)10-17-15(22)18-12-5-7-14(21)20(2)19-12/h4-7,9H,3,8,10H2,1-2H3,(H2,17,18,19,22)
InChIKeyRJPPOKBOTXAUFB-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.29
Rot. Bonds6

About 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea

1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea (PubChem CID 154764880) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea
PubChem CID154764880
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea
SMILESCCCOc1ccc(CNC(=O)Nc2ccc(=O)n(C)n2)cn1
InChIInChI=1S/C15H19N5O3/c1-3-8-23-13-6-4-11(9-16-13)10-17-15(22)18-12-5-7-14(21)20(2)19-12/h4-7,9H,3,8,10H2,1-2H3,(H2,17,18,19,22)
InChIKeyRJPPOKBOTXAUFB-UHFFFAOYSA-N
XLogP1.29
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea (CID 154764880) is 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea is CCCOc1ccc(CNC(=O)Nc2ccc(=O)n(C)n2)cn1.
What is the InChIKey of 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea?
The InChIKey is RJPPOKBOTXAUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-3-8-23-13-6-4-11(9-16-13)10-17-15(22)18-12-5-7-14(21)20(2)19-12/h4-7,9H,3,8,10H2,1-2H3,(H2,17,18,19,22).
What are the key properties of 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea?
1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea has a molecular weight of 317.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxopyridazin-3-yl)-3-[(6-propoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 154764880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).