(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine

C5H10N4 — CID 142107204

IUPAC(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine
SMILESC/C=N/C1N=CNN1C
InChIInChI=1S/C5H10N4/c1-3-6-5-7-4-8-9(5)2/h3-5H,1-2H3,(H,7,8)/b6-3+
InChIKeyFNDJJPDDOCMIMU-ZZXKWVIFSA-N
MW126.16 g/mol
LogP-0.16
Rot. Bonds1

About (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine

(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine (PubChem CID 142107204) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine
PubChem CID142107204
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine
SMILESC/C=N/C1N=CNN1C
InChIInChI=1S/C5H10N4/c1-3-6-5-7-4-8-9(5)2/h3-5H,1-2H3,(H,7,8)/b6-3+
InChIKeyFNDJJPDDOCMIMU-ZZXKWVIFSA-N
XLogP-0.16
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
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 (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine?
The IUPAC name of (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine (CID 142107204) is (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine.
What is the SMILES notation for (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine?
The canonical SMILES for (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine is C/C=N/C1N=CNN1C.
What is the InChIKey of (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine?
The InChIKey is FNDJJPDDOCMIMU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H10N4/c1-3-6-5-7-4-8-9(5)2/h3-5H,1-2H3,(H,7,8)/b6-3+.
What are the key properties of (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine?
(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine has a molecular weight of 126.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine is sourced from PubChem (CID 142107204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).