3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one

C8H11N3O — CID 137230907

IUPAC3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCc1cnn2c1NC(=O)CCC2
InChIInChI=1S/C8H11N3O/c1-6-5-9-11-4-2-3-7(12)10-8(6)11/h5H,2-4H2,1H3,(H,10,12)
InChIKeyHYQUJJDSJZLSNV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.92
Rot. Bonds

About 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one

3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one (PubChem CID 137230907) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one.

Molecular Properties

Compound Name3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one
PubChem CID137230907
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCc1cnn2c1NC(=O)CCC2
InChIInChI=1S/C8H11N3O/c1-6-5-9-11-4-2-3-7(12)10-8(6)11/h5H,2-4H2,1H3,(H,10,12)
InChIKeyHYQUJJDSJZLSNV-UHFFFAOYSA-N
XLogP0.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one?
The IUPAC name of 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one (CID 137230907) is 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one.
What is the SMILES notation for 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one?
The canonical SMILES for 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one is Cc1cnn2c1NC(=O)CCC2.
What is the InChIKey of 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one?
The InChIKey is HYQUJJDSJZLSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-5-9-11-4-2-3-7(12)10-8(6)11/h5H,2-4H2,1H3,(H,10,12).
What are the key properties of 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one?
3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one has a molecular weight of 165.20 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-one is sourced from PubChem (CID 137230907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).