1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea

C14H17N5O2 — CID 127266062

IUPAC1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea
SMILESCCCOc1ccc(CNC(=O)Nc2ccnnc2)cn1
InChIInChI=1S/C14H17N5O2/c1-2-7-21-13-4-3-11(8-15-13)9-16-14(20)19-12-5-6-17-18-10-12/h3-6,8,10H,2,7,9H2,1H3,(H2,16,17,19,20)
InChIKeyRHKUMEBKJSVARP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.98
Rot. Bonds6

About 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea

1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea (PubChem CID 127266062) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea.

Molecular Properties

Compound Name1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea
PubChem CID127266062
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea
SMILESCCCOc1ccc(CNC(=O)Nc2ccnnc2)cn1
InChIInChI=1S/C14H17N5O2/c1-2-7-21-13-4-3-11(8-15-13)9-16-14(20)19-12-5-6-17-18-10-12/h3-6,8,10H,2,7,9H2,1H3,(H2,16,17,19,20)
InChIKeyRHKUMEBKJSVARP-UHFFFAOYSA-N
XLogP1.98
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea?
The IUPAC name of 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea (CID 127266062) is 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea.
What is the SMILES notation for 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea?
The canonical SMILES for 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea is CCCOc1ccc(CNC(=O)Nc2ccnnc2)cn1.
What is the InChIKey of 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea?
The InChIKey is RHKUMEBKJSVARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-7-21-13-4-3-11(8-15-13)9-16-14(20)19-12-5-6-17-18-10-12/h3-6,8,10H,2,7,9H2,1H3,(H2,16,17,19,20).
What are the key properties of 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea?
1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea has a molecular weight of 287.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-propoxy-3-pyridinyl)methyl]-3-pyridazin-4-ylurea is sourced from PubChem (CID 127266062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).