1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine

C12H16N4 — CID 137200349

IUPAC1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESCC1C=CC=C2Nc3c(cnn3C)CNC21
InChIInChI=1S/C12H16N4/c1-8-4-3-5-10-11(8)13-6-9-7-14-16(2)12(9)15-10/h3-5,7-8,11,13,15H,6H2,1-2H3
InChIKeyCWLWBJOOXNGTRZ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.39
Rot. Bonds

About 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine

1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (PubChem CID 137200349) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.

Molecular Properties

Compound Name1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
PubChem CID137200349
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
SMILESCC1C=CC=C2Nc3c(cnn3C)CNC21
InChIInChI=1S/C12H16N4/c1-8-4-3-5-10-11(8)13-6-9-7-14-16(2)12(9)15-10/h3-5,7-8,11,13,15H,6H2,1-2H3
InChIKeyCWLWBJOOXNGTRZ-UHFFFAOYSA-N
XLogP1.39
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The IUPAC name of 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine (CID 137200349) is 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine.
What is the SMILES notation for 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The canonical SMILES for 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is CC1C=CC=C2Nc3c(cnn3C)CNC21.
What is the InChIKey of 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
The InChIKey is CWLWBJOOXNGTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-4-3-5-10-11(8)13-6-9-7-14-16(2)12(9)15-10/h3-5,7-8,11,13,15H,6H2,1-2H3.
What are the key properties of 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine?
1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine has a molecular weight of 216.29 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5,5a,6,10-tetrahydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine is sourced from PubChem (CID 137200349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).