2-methyl-1,5-diazocine

C7H8N2 — CID 76548114

IUPAC2-methyl-1,5-diazocine
SMILESC/C1=N/C=C/C=N\C=C1
InChIInChI=1S/C7H8N2/c1-7-3-6-8-4-2-5-9-7/h2-6H,1H3/b4-2?,5-2?,6-3?,7-3?,8-4-,8-6?,9-5?,9-7-
InChIKeySOOLAAUGKOCFQP-FSLAADQPSA-N
MW120.15 g/mol
LogP1.56
Rot. Bonds

About 2-methyl-1,5-diazocine

2-methyl-1,5-diazocine (PubChem CID 76548114) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-methyl-1,5-diazocine.

Molecular Properties

Compound Name2-methyl-1,5-diazocine
PubChem CID76548114
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-methyl-1,5-diazocine
SMILESC/C1=N/C=C/C=N\C=C1
InChIInChI=1S/C7H8N2/c1-7-3-6-8-4-2-5-9-7/h2-6H,1H3/b4-2?,5-2?,6-3?,7-3?,8-4-,8-6?,9-5?,9-7-
InChIKeySOOLAAUGKOCFQP-FSLAADQPSA-N
XLogP1.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-diazocine-2-carbaldehyde
CID 174667980
azete;ethane
CID 123917494
ethane;4,4,7-trimethylazepine
CID 145323887
5-methyl-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 90879514
1,5-dimethyl-1,4-diazepine
CID 155019232
(4Z,8Z)-2H-triazolo[4,5-d]azocine
CID 145314954
(7Z)-azocine
CID 66692791
5-methyl-1,3-diazocine
CID 123710504
(3Z,5Z,7Z)-azocine;dihydrochloride
CID 139959973
(7Z)-1,3,5-triazocine
CID 135084024
(1Z,5Z)-pyrido[1,2-a][1,5]diazocin-8-one
CID 70082870
3-methyl-4H-azepine
CID 123720038

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5-diazocine?
The IUPAC name of 2-methyl-1,5-diazocine (CID 76548114) is 2-methyl-1,5-diazocine.
What is the SMILES notation for 2-methyl-1,5-diazocine?
The canonical SMILES for 2-methyl-1,5-diazocine is C/C1=N/C=C/C=N\C=C1.
What is the InChIKey of 2-methyl-1,5-diazocine?
The InChIKey is SOOLAAUGKOCFQP-FSLAADQPSA-N. The full InChI is InChI=1S/C7H8N2/c1-7-3-6-8-4-2-5-9-7/h2-6H,1H3/b4-2?,5-2?,6-3?,7-3?,8-4-,8-6?,9-5?,9-7-.
What are the key properties of 2-methyl-1,5-diazocine?
2-methyl-1,5-diazocine has a molecular weight of 120.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5-diazocine is sourced from PubChem (CID 76548114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).