1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea

C14H23N5O — CID 127265814

IUPAC1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea
SMILESCCN(CC)C(=O)NC1CCN(c2cccnn2)CC1
InChIInChI=1S/C14H23N5O/c1-3-18(4-2)14(20)16-12-7-10-19(11-8-12)13-6-5-9-15-17-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,16,20)
InChIKeyUJVVXUSMQOURJK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.50
Rot. Bonds4

About 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea

1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea (PubChem CID 127265814) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea
PubChem CID127265814
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea
SMILESCCN(CC)C(=O)NC1CCN(c2cccnn2)CC1
InChIInChI=1S/C14H23N5O/c1-3-18(4-2)14(20)16-12-7-10-19(11-8-12)13-6-5-9-15-17-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,16,20)
InChIKeyUJVVXUSMQOURJK-UHFFFAOYSA-N
XLogP1.50
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea?
The IUPAC name of 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea (CID 127265814) is 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea is CCN(CC)C(=O)NC1CCN(c2cccnn2)CC1.
What is the InChIKey of 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea?
The InChIKey is UJVVXUSMQOURJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-18(4-2)14(20)16-12-7-10-19(11-8-12)13-6-5-9-15-17-13/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,16,20).
What are the key properties of 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea?
1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea has a molecular weight of 277.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1-pyridazin-3-ylpiperidin-4-yl)urea is sourced from PubChem (CID 127265814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).