1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one

C10H15N3O — CID 59801883

IUPAC1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one
SMILESCC1CCC(=O)N(C)c2c1cnn2C
InChIInChI=1S/C10H15N3O/c1-7-4-5-9(14)12(2)10-8(7)6-11-13(10)3/h6-7H,4-5H2,1-3H3
InChIKeyHAAGVURDHHXLRS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.28
Rot. Bonds

About 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one

1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one (PubChem CID 59801883) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one.

Molecular Properties

Compound Name1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one
PubChem CID59801883
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one
SMILESCC1CCC(=O)N(C)c2c1cnn2C
InChIInChI=1S/C10H15N3O/c1-7-4-5-9(14)12(2)10-8(7)6-11-13(10)3/h6-7H,4-5H2,1-3H3
InChIKeyHAAGVURDHHXLRS-UHFFFAOYSA-N
XLogP1.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one?
The IUPAC name of 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one (CID 59801883) is 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one.
What is the SMILES notation for 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one?
The canonical SMILES for 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one is CC1CCC(=O)N(C)c2c1cnn2C.
What is the InChIKey of 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one?
The InChIKey is HAAGVURDHHXLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-4-5-9(14)12(2)10-8(7)6-11-13(10)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one?
1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one has a molecular weight of 193.25 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-trimethyl-5,6-dihydro-4H-pyrazolo[5,4-b]azepin-7-one is sourced from PubChem (CID 59801883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).