7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine

C16H15N5 — CID 10401278

IUPAC7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine
SMILESCN1CCn2c(-c3ccncc3)nnc2-c2ccccc21
InChIInChI=1S/C16H15N5/c1-20-10-11-21-15(12-6-8-17-9-7-12)18-19-16(21)13-4-2-3-5-14(13)20/h2-9H,10-11H2,1H3
InChIKeyOCTCMBHCGXPWBF-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.46
Rot. Bonds1

About 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine

7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine (PubChem CID 10401278) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine.

Molecular Properties

Compound Name7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine
PubChem CID10401278
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine
SMILESCN1CCn2c(-c3ccncc3)nnc2-c2ccccc21
InChIInChI=1S/C16H15N5/c1-20-10-11-21-15(12-6-8-17-9-7-12)18-19-16(21)13-4-2-3-5-14(13)20/h2-9H,10-11H2,1H3
InChIKeyOCTCMBHCGXPWBF-UHFFFAOYSA-N
XLogP2.46
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine?
The IUPAC name of 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine (CID 10401278) is 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine.
What is the SMILES notation for 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine?
The canonical SMILES for 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine is CN1CCn2c(-c3ccncc3)nnc2-c2ccccc21.
What is the InChIKey of 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine?
The InChIKey is OCTCMBHCGXPWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-20-10-11-21-15(12-6-8-17-9-7-12)18-19-16(21)13-4-2-3-5-14(13)20/h2-9H,10-11H2,1H3.
What are the key properties of 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine?
7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine has a molecular weight of 277.33 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-pyridin-4-yl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzodiazepine is sourced from PubChem (CID 10401278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).