1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine

C7H10N4 — CID 139385890

IUPAC1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine
SMILESC/C=C\N=C\n1ncnc1C
InChIInChI=1S/C7H10N4/c1-3-4-8-6-11-7(2)9-5-10-11/h3-6H,1-2H3/b4-3-,8-6+
InChIKeyDGLWEMLFJGBYPU-OONGGIDMSA-N
MW150.18 g/mol
LogP1.00
Rot. Bonds2

About 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine

1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine (PubChem CID 139385890) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine
PubChem CID139385890
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine
SMILESC/C=C\N=C\n1ncnc1C
InChIInChI=1S/C7H10N4/c1-3-4-8-6-11-7(2)9-5-10-11/h3-6H,1-2H3/b4-3-,8-6+
InChIKeyDGLWEMLFJGBYPU-OONGGIDMSA-N
XLogP1.00
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
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 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine?
The IUPAC name of 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine (CID 139385890) is 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine.
What is the SMILES notation for 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine?
The canonical SMILES for 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine is C/C=C\N=C\n1ncnc1C.
What is the InChIKey of 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine?
The InChIKey is DGLWEMLFJGBYPU-OONGGIDMSA-N. The full InChI is InChI=1S/C7H10N4/c1-3-4-8-6-11-7(2)9-5-10-11/h3-6H,1-2H3/b4-3-,8-6+.
What are the key properties of 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine?
1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine has a molecular weight of 150.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine is sourced from PubChem (CID 139385890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).