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

C7H16N4 — CID 142107203

IUPACethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine
SMILESC/C=N/C1N=CNN1C.CC
InChIInChI=1S/C5H10N4.C2H6/c1-3-6-5-7-4-8-9(5)2;1-2/h3-5H,1-2H3,(H,7,8);1-2H3/b6-3+;
InChIKeyVIUVPBWMJCWBHM-ZIKNSQGESA-N
MW156.23 g/mol
LogP0.87
Rot. Bonds1

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

ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine (PubChem CID 142107203) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine.

Molecular Properties

Compound Nameethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine
PubChem CID142107203
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Nameethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine
SMILESC/C=N/C1N=CNN1C.CC
InChIInChI=1S/C5H10N4.C2H6/c1-3-6-5-7-4-8-9(5)2;1-2/h3-5H,1-2H3,(H,7,8);1-2H3/b6-3+;
InChIKeyVIUVPBWMJCWBHM-ZIKNSQGESA-N
XLogP0.87
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.87
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 ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine?
The IUPAC name of ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine (CID 142107203) is ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine.
What is the SMILES notation for ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine?
The canonical SMILES for ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine is C/C=N/C1N=CNN1C.CC.
What is the InChIKey of ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine?
The InChIKey is VIUVPBWMJCWBHM-ZIKNSQGESA-N. The full InChI is InChI=1S/C5H10N4.C2H6/c1-3-6-5-7-4-8-9(5)2;1-2/h3-5H,1-2H3,(H,7,8);1-2H3/b6-3+;.
What are the key properties of ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine?
ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine has a molecular weight of 156.23 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-(2-methyl-1,3-dihydro-1,2,4-triazol-3-yl)ethanimine is sourced from PubChem (CID 142107203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).