(1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine

C10H12F3N5 — CID 153337981

IUPAC(1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine
SMILESCC/C=N\C(=N/C)Nc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C10H12F3N5/c1-3-4-15-9(14-2)17-8-5-7(6-16-18-8)10(11,12)13/h4-6H,3H2,1-2H3,(H,14,17,18)/b15-4-
InChIKeyDJUHWWZEZMWKBC-TVPGTPATSA-N
MW259.24 g/mol
LogP2.37
Rot. Bonds2

About (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine

(1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine (PubChem CID 153337981) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine.

Molecular Properties

Compound Name(1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine
PubChem CID153337981
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name(1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine
SMILESCC/C=N\C(=N/C)Nc1cc(C(F)(F)F)cnn1
InChIInChI=1S/C10H12F3N5/c1-3-4-15-9(14-2)17-8-5-7(6-16-18-8)10(11,12)13/h4-6H,3H2,1-2H3,(H,14,17,18)/b15-4-
InChIKeyDJUHWWZEZMWKBC-TVPGTPATSA-N
XLogP2.37
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine?
The IUPAC name of (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine (CID 153337981) is (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine.
What is the SMILES notation for (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine?
The canonical SMILES for (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine is CC/C=N\C(=N/C)Nc1cc(C(F)(F)F)cnn1.
What is the InChIKey of (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine?
The InChIKey is DJUHWWZEZMWKBC-TVPGTPATSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-3-4-15-9(14-2)17-8-5-7(6-16-18-8)10(11,12)13/h4-6H,3H2,1-2H3,(H,14,17,18)/b15-4-.
What are the key properties of (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine?
(1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine has a molecular weight of 259.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-methyl-1-propylidene-3-[5-(trifluoromethyl)pyridazin-3-yl]guanidine is sourced from PubChem (CID 153337981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).