1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea

C8H12N4O2 — CID 108887226

IUPAC1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O2/c1-5(2)9-8(14)10-6-3-4-7(13)12-11-6/h3-5H,1-2H3,(H,12,13)(H2,9,10,11,14)
InChIKeyKEGNOSHMSYJNCE-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.30
Rot. Bonds2

About 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea

1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea (PubChem CID 108887226) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea
PubChem CID108887226
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O2/c1-5(2)9-8(14)10-6-3-4-7(13)12-11-6/h3-5H,1-2H3,(H,12,13)(H2,9,10,11,14)
InChIKeyKEGNOSHMSYJNCE-UHFFFAOYSA-N
XLogP0.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea (CID 108887226) is 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea?
The InChIKey is KEGNOSHMSYJNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(2)9-8(14)10-6-3-4-7(13)12-11-6/h3-5H,1-2H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea?
1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea has a molecular weight of 196.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-3-yl)-3-propan-2-ylurea is sourced from PubChem (CID 108887226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).