ethanamine;triazolo[4,5-i][1,2]benzodiazepine

C11H12N6 — CID 70499316

IUPACethanamine;triazolo[4,5-i][1,2]benzodiazepine
SMILESCCN.c1cnnc2c(c1)ccc1nnnc12
InChIInChI=1S/C9H5N5.C2H7N/c1-2-6-3-4-7-9(13-14-11-7)8(6)12-10-5-1;1-2-3/h1-5H;2-3H2,1H3
InChIKeySZMLEOBMHOMREV-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.93
Rot. Bonds

About ethanamine;triazolo[4,5-i][1,2]benzodiazepine

ethanamine;triazolo[4,5-i][1,2]benzodiazepine (PubChem CID 70499316) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is ethanamine;triazolo[4,5-i][1,2]benzodiazepine.

Molecular Properties

Compound Nameethanamine;triazolo[4,5-i][1,2]benzodiazepine
PubChem CID70499316
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Nameethanamine;triazolo[4,5-i][1,2]benzodiazepine
SMILESCCN.c1cnnc2c(c1)ccc1nnnc12
InChIInChI=1S/C9H5N5.C2H7N/c1-2-6-3-4-7-9(13-14-11-7)8(6)12-10-5-1;1-2-3/h1-5H;2-3H2,1H3
InChIKeySZMLEOBMHOMREV-UHFFFAOYSA-N
XLogP0.93
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethanamine;triazolo[4,5-i][1,2]benzodiazepine?
The IUPAC name of ethanamine;triazolo[4,5-i][1,2]benzodiazepine (CID 70499316) is ethanamine;triazolo[4,5-i][1,2]benzodiazepine.
What is the SMILES notation for ethanamine;triazolo[4,5-i][1,2]benzodiazepine?
The canonical SMILES for ethanamine;triazolo[4,5-i][1,2]benzodiazepine is CCN.c1cnnc2c(c1)ccc1nnnc12.
What is the InChIKey of ethanamine;triazolo[4,5-i][1,2]benzodiazepine?
The InChIKey is SZMLEOBMHOMREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5.C2H7N/c1-2-6-3-4-7-9(13-14-11-7)8(6)12-10-5-1;1-2-3/h1-5H;2-3H2,1H3.
What are the key properties of ethanamine;triazolo[4,5-i][1,2]benzodiazepine?
ethanamine;triazolo[4,5-i][1,2]benzodiazepine has a molecular weight of 228.26 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;triazolo[4,5-i][1,2]benzodiazepine is sourced from PubChem (CID 70499316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).