5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

C12H14N4 — CID 44825492

IUPAC5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCC1c2ccccc2-n2nncc2CN1C
InChIInChI=1S/C12H14N4/c1-9-11-5-3-4-6-12(11)16-10(7-13-14-16)8-15(9)2/h3-7,9H,8H2,1-2H3
InChIKeyVKYXYNBCOVNPLJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.77
Rot. Bonds

About 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine

5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (PubChem CID 44825492) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
PubChem CID44825492
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCC1c2ccccc2-n2nncc2CN1C
InChIInChI=1S/C12H14N4/c1-9-11-5-3-4-6-12(11)16-10(7-13-14-16)8-15(9)2/h3-7,9H,8H2,1-2H3
InChIKeyVKYXYNBCOVNPLJ-UHFFFAOYSA-N
XLogP1.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (CID 44825492) is 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is CC1c2ccccc2-n2nncc2CN1C.
What is the InChIKey of 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is VKYXYNBCOVNPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-11-5-3-4-6-12(11)16-10(7-13-14-16)8-15(9)2/h3-7,9H,8H2,1-2H3.
What are the key properties of 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 214.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 44825492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).