5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine

C11H12N4 — CID 3058008

IUPAC5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine
SMILESCC1Cc2nncn2-c2ccccc2N1
InChIInChI=1S/C11H12N4/c1-8-6-11-14-12-7-15(11)10-5-3-2-4-9(10)13-8/h2-5,7-8,13H,6H2,1H3
InChIKeyWRZNJEWUYBXZSZ-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.62
Rot. Bonds

About 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine

5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine (PubChem CID 3058008) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine.

Molecular Properties

Compound Name5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine
PubChem CID3058008
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine
SMILESCC1Cc2nncn2-c2ccccc2N1
InChIInChI=1S/C11H12N4/c1-8-6-11-14-12-7-15(11)10-5-3-2-4-9(10)13-8/h2-5,7-8,13H,6H2,1H3
InChIKeyWRZNJEWUYBXZSZ-UHFFFAOYSA-N
XLogP1.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-phenyl-4H-1,2,4-triazole
CID 12216908
4-fluoro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 3398336
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 2310790
4-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 2310793
4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepin-5-amine, N,N-dipropyl-
CID 376216
4H-s-Triazolo(4,3-a)(1,5)benzodiazepine, 5,6-dihydro-1,5-dimethyl-
CID 400094
4H-s-Triazolo(4,3-a)(1,5)benzodiazepine, 5,6-dihydro-4-methyl-1-phenyl-
CID 3041413
4H-s-Triazolo(4,3-a)(1,5)benzodiazepine, 5,6-dihydro-1-phenyl-
CID 3041416
(4-phenyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24701192
2-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 853537
3-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 2318726
1-methyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepine
CID 12099554

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine?
The IUPAC name of 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine (CID 3058008) is 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine.
What is the SMILES notation for 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine?
The canonical SMILES for 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine is CC1Cc2nncn2-c2ccccc2N1.
What is the InChIKey of 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine?
The InChIKey is WRZNJEWUYBXZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8-6-11-14-12-7-15(11)10-5-3-2-4-9(10)13-8/h2-5,7-8,13H,6H2,1H3.
What are the key properties of 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine?
5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine has a molecular weight of 200.25 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5,6-dihydro-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine is sourced from PubChem (CID 3058008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).