(5-methylpyridazin-4-yl)urea

C6H8N4O — CID 130738499

IUPAC(5-methylpyridazin-4-yl)urea
SMILESCc1cnncc1NC(N)=O
InChIInChI=1S/C6H8N4O/c1-4-2-8-9-3-5(4)10-6(7)11/h2-3H,1H3,(H3,7,8,10,11)
InChIKeyPMADBBVMRIWVBX-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.28
Rot. Bonds1

About (5-methylpyridazin-4-yl)urea

(5-methylpyridazin-4-yl)urea (PubChem CID 130738499) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is (5-methylpyridazin-4-yl)urea.

Molecular Properties

Compound Name(5-methylpyridazin-4-yl)urea
PubChem CID130738499
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name(5-methylpyridazin-4-yl)urea
SMILESCc1cnncc1NC(N)=O
InChIInChI=1S/C6H8N4O/c1-4-2-8-9-3-5(4)10-6(7)11/h2-3H,1H3,(H3,7,8,10,11)
InChIKeyPMADBBVMRIWVBX-UHFFFAOYSA-N
XLogP0.28
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyridazin-4-yl)urea?
The IUPAC name of (5-methylpyridazin-4-yl)urea (CID 130738499) is (5-methylpyridazin-4-yl)urea.
What is the SMILES notation for (5-methylpyridazin-4-yl)urea?
The canonical SMILES for (5-methylpyridazin-4-yl)urea is Cc1cnncc1NC(N)=O.
What is the InChIKey of (5-methylpyridazin-4-yl)urea?
The InChIKey is PMADBBVMRIWVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-4-2-8-9-3-5(4)10-6(7)11/h2-3H,1H3,(H3,7,8,10,11).
What are the key properties of (5-methylpyridazin-4-yl)urea?
(5-methylpyridazin-4-yl)urea has a molecular weight of 152.16 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyridazin-4-yl)urea is sourced from PubChem (CID 130738499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).