N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine

C9H14N4 — CID 138725206

IUPACN-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine
SMILESC=N/C(=C\n1ncnc1C)C(C)C
InChIInChI=1S/C9H14N4/c1-7(2)9(10-4)5-13-8(3)11-6-12-13/h5-7H,4H2,1-3H3/b9-5-
InChIKeyGPWUWHQFWSPAAA-UITAMQMPSA-N
MW178.24 g/mol
LogP1.74
Rot. Bonds3

About N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine

N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine (PubChem CID 138725206) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine
PubChem CID138725206
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine
SMILESC=N/C(=C\n1ncnc1C)C(C)C
InChIInChI=1S/C9H14N4/c1-7(2)9(10-4)5-13-8(3)11-6-12-13/h5-7H,4H2,1-3H3/b9-5-
InChIKeyGPWUWHQFWSPAAA-UITAMQMPSA-N
XLogP1.74
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine (CID 138725206) is N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine is C=N/C(=C\n1ncnc1C)C(C)C.
What is the InChIKey of N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine?
The InChIKey is GPWUWHQFWSPAAA-UITAMQMPSA-N. The full InChI is InChI=1S/C9H14N4/c1-7(2)9(10-4)5-13-8(3)11-6-12-13/h5-7H,4H2,1-3H3/b9-5-.
What are the key properties of N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine?
N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine has a molecular weight of 178.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methyl-1-(5-methyl-1,2,4-triazol-1-yl)but-1-en-2-yl]methanimine is sourced from PubChem (CID 138725206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).