N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine

C12H14N4 — CID 170120841

IUPACN-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine
SMILES[H]/N=C/C/N=C(\C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C12H14N4/c1-9(14-6-5-13)10-3-4-12-11(7-10)8-15-16(12)2/h3-5,7-8,13H,6H2,1-2H3/b13-5+,14-9+
InChIKeyIOHHNZHJOGJSSS-HJAIQHMZSA-N
MW214.27 g/mol
LogP2.03
Rot. Bonds3

About N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine

N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine (PubChem CID 170120841) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine.

Molecular Properties

Compound NameN-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine
PubChem CID170120841
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine
SMILES[H]/N=C/C/N=C(\C)c1ccc2c(cnn2C)c1
InChIInChI=1S/C12H14N4/c1-9(14-6-5-13)10-3-4-12-11(7-10)8-15-16(12)2/h3-5,7-8,13H,6H2,1-2H3/b13-5+,14-9+
InChIKeyIOHHNZHJOGJSSS-HJAIQHMZSA-N
XLogP2.03
TPSA54.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.03
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 N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine?
The IUPAC name of N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine (CID 170120841) is N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine.
What is the SMILES notation for N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine?
The canonical SMILES for N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine is [H]/N=C/C/N=C(\C)c1ccc2c(cnn2C)c1.
What is the InChIKey of N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine?
The InChIKey is IOHHNZHJOGJSSS-HJAIQHMZSA-N. The full InChI is InChI=1S/C12H14N4/c1-9(14-6-5-13)10-3-4-12-11(7-10)8-15-16(12)2/h3-5,7-8,13H,6H2,1-2H3/b13-5+,14-9+.
What are the key properties of N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine?
N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine has a molecular weight of 214.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminoethyl)-1-(1-methylindazol-5-yl)ethanimine is sourced from PubChem (CID 170120841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).