1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one

C10H6N4O — CID 137190705

IUPAC1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one
SMILESO=c1cncc2ccc3nncc3c2[nH]1
InChIInChI=1S/C10H6N4O/c15-9-5-11-3-6-1-2-8-7(4-12-14-8)10(6)13-9/h1-5H,(H,13,15)
InChIKeyMURDJQOHBKYPPG-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.87
Rot. Bonds

About 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one

1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one (PubChem CID 137190705) has the molecular formula C10H6N4O and a molecular weight of 198.19 g/mol. Its IUPAC name is 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one.

Molecular Properties

Compound Name1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one
PubChem CID137190705
Molecular FormulaC10H6N4O
Molecular Weight198.19 g/mol
Exact Mass198.05
IUPAC Name1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one
SMILESO=c1cncc2ccc3nncc3c2[nH]1
InChIInChI=1S/C10H6N4O/c15-9-5-11-3-6-1-2-8-7(4-12-14-8)10(6)13-9/h1-5H,(H,13,15)
InChIKeyMURDJQOHBKYPPG-UHFFFAOYSA-N
XLogP0.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one?
The IUPAC name of 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one (CID 137190705) is 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one.
What is the SMILES notation for 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one?
The canonical SMILES for 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one is O=c1cncc2ccc3nncc3c2[nH]1.
What is the InChIKey of 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one?
The InChIKey is MURDJQOHBKYPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c15-9-5-11-3-6-1-2-8-7(4-12-14-8)10(6)13-9/h1-5H,(H,13,15).
What are the key properties of 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one?
1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one has a molecular weight of 198.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one is sourced from PubChem (CID 137190705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).