2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine

C7H11N5O — CID 166625461

IUPAC2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine
SMILESCn1nccc(CN=C(N)N)c1=O
InChIInChI=1S/C7H11N5O/c1-12-6(13)5(2-3-11-12)4-10-7(8)9/h2-3H,4H2,1H3,(H4,8,9,10)
InChIKeyKFWJSXJYZLGYJT-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.45
Rot. Bonds2

About 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine

2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine (PubChem CID 166625461) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine
PubChem CID166625461
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine
SMILESCn1nccc(CN=C(N)N)c1=O
InChIInChI=1S/C7H11N5O/c1-12-6(13)5(2-3-11-12)4-10-7(8)9/h2-3H,4H2,1H3,(H4,8,9,10)
InChIKeyKFWJSXJYZLGYJT-UHFFFAOYSA-N
XLogP-1.45
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine?
The IUPAC name of 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine (CID 166625461) is 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine.
What is the SMILES notation for 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine?
The canonical SMILES for 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine is Cn1nccc(CN=C(N)N)c1=O.
What is the InChIKey of 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine?
The InChIKey is KFWJSXJYZLGYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-6(13)5(2-3-11-12)4-10-7(8)9/h2-3H,4H2,1H3,(H4,8,9,10).
What are the key properties of 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine?
2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine has a molecular weight of 181.20 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-oxopyridazin-4-yl)methyl]guanidine is sourced from PubChem (CID 166625461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).