(Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium

C20H23F3N5O2+ — CID 144635444

IUPAC(Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium
SMILESCCC(=NOCc1c(C)cccc1NC(=O)/[N+](C)=N\N)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H22F3N5O2/c1-4-17(14-9-5-6-10-16(14)20(21,22)23)26-30-12-15-13(2)8-7-11-18(15)25-19(29)28(3)27-24/h5-11,24H,4,12H2,1-3H3,(H,25,29)/p+1
InChIKeyWREZDQNEEIHQJN-UHFFFAOYSA-O
MW422.43 g/mol
LogP4.84
Rot. Bonds6

About (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium

(Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium (PubChem CID 144635444) has the molecular formula C20H23F3N5O2+ and a molecular weight of 422.43 g/mol. Its IUPAC name is (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium.

Molecular Properties

Compound Name(Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium
PubChem CID144635444
Molecular FormulaC20H23F3N5O2+
Molecular Weight422.43 g/mol
Exact Mass422.18
IUPAC Name(Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium
SMILESCCC(=NOCc1c(C)cccc1NC(=O)/[N+](C)=N\N)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H22F3N5O2/c1-4-17(14-9-5-6-10-16(14)20(21,22)23)26-30-12-15-13(2)8-7-11-18(15)25-19(29)28(3)27-24/h5-11,24H,4,12H2,1-3H3,(H,25,29)/p+1
InChIKeyWREZDQNEEIHQJN-UHFFFAOYSA-O
XLogP4.84
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium?
The IUPAC name of (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium (CID 144635444) is (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium.
What is the SMILES notation for (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium?
The canonical SMILES for (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium is CCC(=NOCc1c(C)cccc1NC(=O)/[N+](C)=N\N)c1ccccc1C(F)(F)F.
What is the InChIKey of (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium?
The InChIKey is WREZDQNEEIHQJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22F3N5O2/c1-4-17(14-9-5-6-10-16(14)20(21,22)23)26-30-12-15-13(2)8-7-11-18(15)25-19(29)28(3)27-24/h5-11,24H,4,12H2,1-3H3,(H,25,29)/p+1.
What are the key properties of (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium?
(Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium has a molecular weight of 422.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hydrazinylidene-methyl-[[3-methyl-2-[[1-[2-(trifluoromethyl)phenyl]propylideneamino]oxymethyl]phenyl]carbamoyl]azanium is sourced from PubChem (CID 144635444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).