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

C9H14N4 — CID 155027547

IUPACN-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine
SMILESC=N/C=C\n1nc(C(C)C)nc1C
InChIInChI=1S/C9H14N4/c1-7(2)9-11-8(3)13(12-9)6-5-10-4/h5-7H,4H2,1-3H3/b6-5-
InChIKeyJHIKDEOUGSLOLZ-WAYWQWQTSA-N
MW178.24 g/mol
LogP1.84
Rot. Bonds3

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

N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine (PubChem CID 155027547) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine
PubChem CID155027547
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine
SMILESC=N/C=C\n1nc(C(C)C)nc1C
InChIInChI=1S/C9H14N4/c1-7(2)9-11-8(3)13(12-9)6-5-10-4/h5-7H,4H2,1-3H3/b6-5-
InChIKeyJHIKDEOUGSLOLZ-WAYWQWQTSA-N
XLogP1.84
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 ≤ 51.84
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)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine (CID 155027547) is N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine is C=N/C=C\n1nc(C(C)C)nc1C.
What is the InChIKey of N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine?
The InChIKey is JHIKDEOUGSLOLZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H14N4/c1-7(2)9-11-8(3)13(12-9)6-5-10-4/h5-7H,4H2,1-3H3/b6-5-.
What are the key properties of N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine?
N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine has a molecular weight of 178.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(5-methyl-3-propan-2-yl-1,2,4-triazol-1-yl)ethenyl]methanimine is sourced from PubChem (CID 155027547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).