2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine

C10H15N3 — CID 165006837

IUPAC2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine
SMILESC=C1CN(C)CCc2cn(C)nc21
InChIInChI=1S/C10H15N3/c1-8-6-12(2)5-4-9-7-13(3)11-10(8)9/h7H,1,4-6H2,2-3H3
InChIKeyZAHJCIWLUKCOMJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.92
Rot. Bonds

About 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine

2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine (PubChem CID 165006837) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine.

Molecular Properties

Compound Name2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine
PubChem CID165006837
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine
SMILESC=C1CN(C)CCc2cn(C)nc21
InChIInChI=1S/C10H15N3/c1-8-6-12(2)5-4-9-7-13(3)11-10(8)9/h7H,1,4-6H2,2-3H3
InChIKeyZAHJCIWLUKCOMJ-UHFFFAOYSA-N
XLogP0.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine?
The IUPAC name of 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine (CID 165006837) is 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine.
What is the SMILES notation for 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine?
The canonical SMILES for 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine is C=C1CN(C)CCc2cn(C)nc21.
What is the InChIKey of 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine?
The InChIKey is ZAHJCIWLUKCOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8-6-12(2)5-4-9-7-13(3)11-10(8)9/h7H,1,4-6H2,2-3H3.
What are the key properties of 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine?
2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine has a molecular weight of 177.25 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-methylidene-5,7-dihydro-4H-pyrazolo[3,4-d]azepine is sourced from PubChem (CID 165006837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).