5-methyl-1,3-diazocine

C7H8N2 — CID 123710504

IUPAC5-methyl-1,3-diazocine
SMILESCC1=C/N=C\N=C/C=C1
InChIInChI=1S/C7H8N2/c1-7-3-2-4-8-6-9-5-7/h2-6H,1H3/b3-2?,4-2?,7-3?,7-5?,8-4-,8-6-,9-5?,9-6-
InChIKeyIIYWTGZENZESDO-HPAYQXGOSA-N
MW120.15 g/mol
LogP1.56
Rot. Bonds

About 5-methyl-1,3-diazocine

5-methyl-1,3-diazocine (PubChem CID 123710504) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 5-methyl-1,3-diazocine.

Molecular Properties

Compound Name5-methyl-1,3-diazocine
PubChem CID123710504
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name5-methyl-1,3-diazocine
SMILESCC1=C/N=C\N=C/C=C1
InChIInChI=1S/C7H8N2/c1-7-3-2-4-8-6-9-5-7/h2-6H,1H3/b3-2?,4-2?,7-3?,7-5?,8-4-,8-6-,9-5?,9-6-
InChIKeyIIYWTGZENZESDO-HPAYQXGOSA-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

Analyze 5-methyl-1,3-diazocine with MolForge

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

Launch Full Analysis

Related Compounds

2,8-Diazabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 56972316
(6Z,11Z)-10,13-dimethylidene-1,3,8-triazacyclotetradeca-2,6,8,11,14-pentaene
CID 130252124
(2Z,4Z,6E)-N,6-dimethyl-N'-methylidenehepta-2,4,6-triene-1,7-diimine
CID 130278940
N-[(Z)-2-[(5Z,7Z)-6-methyl-9-methylidene-4H-1,3-diazecin-5-yl]ethenyl]methanimine
CID 130294574
(2Z,5Z)-6-(1-azacyclohepta-2,3,5,7-tetraen-4-yl)-N-methyl-4-methylidenehexa-2,5-dien-1-imine
CID 131966697
(2E,4E)-N,N'-bis(ethenyl)-3,4-dimethylhexa-2,4-diene-1,6-diimine
CID 132208544
N-[(1E,3E)-2-methylpenta-1,3-dienyl]prop-2-en-1-imine
CID 135174742
(2Z,5Z,7E)-N-(2-ethenyliminoethyl)-4-methylidenenona-2,5,7-trien-1-imine
CID 137490010
N'-[(1Z,3E)-4-methylhexa-1,3,5-trienyl]-N-prop-2-enylideneethanimidamide
CID 137496565
(3E,5Z,7Z)-4-methylazocine
CID 145067645
3-methylidene-N-[(Z)-prop-1-enyl]pyridin-2-imine
CID 146418825
(3Z)-3-ethylidene-N-[(Z)-prop-1-enyl]pyridin-2-imine
CID 146559726

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diazocine?
The IUPAC name of 5-methyl-1,3-diazocine (CID 123710504) is 5-methyl-1,3-diazocine.
What is the SMILES notation for 5-methyl-1,3-diazocine?
The canonical SMILES for 5-methyl-1,3-diazocine is CC1=C/N=C\N=C/C=C1.
What is the InChIKey of 5-methyl-1,3-diazocine?
The InChIKey is IIYWTGZENZESDO-HPAYQXGOSA-N. The full InChI is InChI=1S/C7H8N2/c1-7-3-2-4-8-6-9-5-7/h2-6H,1H3/b3-2?,4-2?,7-3?,7-5?,8-4-,8-6-,9-5?,9-6-.
What are the key properties of 5-methyl-1,3-diazocine?
5-methyl-1,3-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 5-methyl-1,3-diazocine is sourced from PubChem (CID 123710504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).