9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene

C8H9N3 — CID 144707980

IUPAC9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene
SMILESCN1CC2=CN=C=CN=C2C1
InChIInChI=1S/C8H9N3/c1-11-5-7-4-9-2-3-10-8(7)6-11/h3-4H,5-6H2,1H3
InChIKeyVOYDRVUGRAQAFN-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.45
Rot. Bonds

About 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene

9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene (PubChem CID 144707980) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene.

Molecular Properties

Compound Name9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene
PubChem CID144707980
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene
SMILESCN1CC2=CN=C=CN=C2C1
InChIInChI=1S/C8H9N3/c1-11-5-7-4-9-2-3-10-8(7)6-11/h3-4H,5-6H2,1H3
InChIKeyVOYDRVUGRAQAFN-UHFFFAOYSA-N
XLogP0.45
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-(4-ethenylimino-1-methylpyrrolidin-3-ylidene)methanamine
CID 90253958
3-Methyl-3,6-diazabicyclo[3.2.0]hepta-1(7),5-diene
CID 123370633
6-methyl-3-methylidene-5,7-dihydro-2H-pyrrolo[3,4-d]pyrimidin-3-ium
CID 123480730
ethane;1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
CID 143154277
1-methyl-4-methylidene-N-[(Z)-prop-1-enyl]pyrrolidin-3-imine
CID 143154278
ethane;(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine
CID 177178371
(Z)-(1-ethyl-4-ethyliminopyrrolidin-3-ylidene)methanamine
CID 177178372

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene?
The IUPAC name of 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene (CID 144707980) is 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene.
What is the SMILES notation for 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene?
The canonical SMILES for 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene is CN1CC2=CN=C=CN=C2C1.
What is the InChIKey of 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene?
The InChIKey is VOYDRVUGRAQAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-11-5-7-4-9-2-3-10-8(7)6-11/h3-4H,5-6H2,1H3.
What are the key properties of 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene?
9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene has a molecular weight of 147.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,5,9-triazabicyclo[5.3.0]deca-1,3,4,6-tetraene is sourced from PubChem (CID 144707980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).