3-methyldiazecine

C9H10N2 — CID 142394297

IUPAC3-methyldiazecine
SMILESCc1cccccccnn1
InChIInChI=1S/C9H10N2/c1-9-7-5-3-2-4-6-8-10-11-9/h2-8H,1H3/b3-2-,4-2+,5-3-,6-4+,7-5-,8-6-,9-7+,10-8-,11-9+,11-10-
InChIKeyFYEPVXLODJLVPA-SYXCKYHRSA-N
MW146.19 g/mol
LogP1.91
Rot. Bonds

About 3-methyldiazecine

3-methyldiazecine (PubChem CID 142394297) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyldiazecine.

Molecular Properties

Compound Name3-methyldiazecine
PubChem CID142394297
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methyldiazecine
SMILESCc1cccccccnn1
InChIInChI=1S/C9H10N2/c1-9-7-5-3-2-4-6-8-10-11-9/h2-8H,1H3/b3-2-,4-2+,5-3-,6-4+,7-5-,8-6-,9-7+,10-8-,11-9+,11-10-
InChIKeyFYEPVXLODJLVPA-SYXCKYHRSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyldiazecine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyldiazecine?
The IUPAC name of 3-methyldiazecine (CID 142394297) is 3-methyldiazecine.
What is the SMILES notation for 3-methyldiazecine?
The canonical SMILES for 3-methyldiazecine is Cc1cccccccnn1.
What is the InChIKey of 3-methyldiazecine?
The InChIKey is FYEPVXLODJLVPA-SYXCKYHRSA-N. The full InChI is InChI=1S/C9H10N2/c1-9-7-5-3-2-4-6-8-10-11-9/h2-8H,1H3/b3-2-,4-2+,5-3-,6-4+,7-5-,8-6-,9-7+,10-8-,11-9+,11-10-.
What are the key properties of 3-methyldiazecine?
3-methyldiazecine has a molecular weight of 146.19 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldiazecine is sourced from PubChem (CID 142394297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).