1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

C14H16N4 — CID 63101354

IUPAC1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCc1ccc(N2CCNCc3ccccc32)nn1
InChIInChI=1S/C14H16N4/c1-11-6-7-14(17-16-11)18-9-8-15-10-12-4-2-3-5-13(12)18/h2-7,15H,8-10H2,1H3
InChIKeyNKCRZNNYLNIDCO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.03
Rot. Bonds1

About 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (PubChem CID 63101354) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
PubChem CID63101354
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCc1ccc(N2CCNCc3ccccc32)nn1
InChIInChI=1S/C14H16N4/c1-11-6-7-14(17-16-11)18-9-8-15-10-12-4-2-3-5-13(12)18/h2-7,15H,8-10H2,1H3
InChIKeyNKCRZNNYLNIDCO-UHFFFAOYSA-N
XLogP2.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (CID 63101354) is 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is Cc1ccc(N2CCNCc3ccccc32)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is NKCRZNNYLNIDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-11-6-7-14(17-16-11)18-9-8-15-10-12-4-2-3-5-13(12)18/h2-7,15H,8-10H2,1H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 240.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 63101354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).