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

C11H12N4 — CID 44825914

IUPAC5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCN1Cc2ccccc2-n2nncc2C1
InChIInChI=1S/C11H12N4/c1-14-7-9-4-2-3-5-11(9)15-10(8-14)6-12-13-15/h2-6H,7-8H2,1H3
InChIKeyRUIKMMDRYPHRHN-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.21
Rot. Bonds

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

5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (PubChem CID 44825914) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
PubChem CID44825914
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine
SMILESCN1Cc2ccccc2-n2nncc2C1
InChIInChI=1S/C11H12N4/c1-14-7-9-4-2-3-5-11(9)15-10(8-14)6-12-13-15/h2-6H,7-8H2,1H3
InChIKeyRUIKMMDRYPHRHN-UHFFFAOYSA-N
XLogP1.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-Diphenyl-1H-1,2,3-triazole
CID 281048
US10167292, Example 5
CID 126564471
1-Benzyl-4-hexyl-triazole
CID 54772019
4-phenyl-1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-1,2,3,6-tetrahydropyridine
CID 44412458
5-[(2-Methylphenyl)methyl]-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-6-carbonitrile
CID 44825858
5-Methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-6-carbonitrile
CID 44825860
N-allyl-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine-5(6H)-carbothioamide
CID 46902410
9-bromo-5-(4-methylbenzyl)-5,6-dihydro-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine
CID 51360878
2-[1-(2-Methylphenyl)triazol-4-yl]pyridine
CID 56835099
4-[(E)-2-[1-(2-fluoroethyl)triazol-4-yl]ethenyl]-N,N-dimethylaniline
CID 56949927
US10167292, Example 6
CID 126521430
1H-1,2,3-Triazole, 4-(difluoromethyl)-1-(4-methylphenyl)-
CID 16074346

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine (CID 44825914) is 5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is CN1Cc2ccccc2-n2nncc2C1.
What is the InChIKey of 5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is RUIKMMDRYPHRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-14-7-9-4-2-3-5-11(9)15-10(8-14)6-12-13-15/h2-6H,7-8H2,1H3.
What are the key properties of 5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine?
5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 200.25 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 44825914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).