1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea

C10H15N7O2 — CID 83112049

IUPAC1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea
SMILESCN(C)C(=O)NCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N7O2/c1-16(2)9(18)12-6-5-11-7-3-4-8-13-14-10(19)17(8)15-7/h3-4H,5-6H2,1-2H3,(H,11,15)(H,12,18)(H,14,19)
InChIKeyNOWHYWSCZANZOV-UHFFFAOYSA-N
MW265.28 g/mol
LogP-0.90
Rot. Bonds4

About 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea

1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea (PubChem CID 83112049) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea
PubChem CID83112049
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea
SMILESCN(C)C(=O)NCCNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N7O2/c1-16(2)9(18)12-6-5-11-7-3-4-8-13-14-10(19)17(8)15-7/h3-4H,5-6H2,1-2H3,(H,11,15)(H,12,18)(H,14,19)
InChIKeyNOWHYWSCZANZOV-UHFFFAOYSA-N
XLogP-0.90
TPSA107.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea (CID 83112049) is 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea is CN(C)C(=O)NCCNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea?
The InChIKey is NOWHYWSCZANZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c1-16(2)9(18)12-6-5-11-7-3-4-8-13-14-10(19)17(8)15-7/h3-4H,5-6H2,1-2H3,(H,11,15)(H,12,18)(H,14,19).
What are the key properties of 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea?
1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea has a molecular weight of 265.28 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]urea is sourced from PubChem (CID 83112049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).