2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine

C9H11N3 — CID 89129881

IUPAC2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine
SMILESCC1CCC=c2cnncc2=N1
InChIInChI=1S/C9H11N3/c1-7-3-2-4-8-5-10-11-6-9(8)12-7/h4-7H,2-3H2,1H3
InChIKeyXQSUXWFAEGPKIO-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.06
Rot. Bonds

About 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine

2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine (PubChem CID 89129881) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine
PubChem CID89129881
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine
SMILESCC1CCC=c2cnncc2=N1
InChIInChI=1S/C9H11N3/c1-7-3-2-4-8-5-10-11-6-9(8)12-7/h4-7H,2-3H2,1H3
InChIKeyXQSUXWFAEGPKIO-UHFFFAOYSA-N
XLogP0.06
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine?
The IUPAC name of 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine (CID 89129881) is 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine is CC1CCC=c2cnncc2=N1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine?
The InChIKey is XQSUXWFAEGPKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-7-3-2-4-8-5-10-11-6-9(8)12-7/h4-7H,2-3H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine?
2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine has a molecular weight of 161.21 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-pyridazino[4,5-b]azepine is sourced from PubChem (CID 89129881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).