10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

C8H7N3 — CID 129201430

IUPAC10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESCn1ccc2c1=NC=C=NC=2
InChIInChI=1S/C8H7N3/c1-11-5-2-7-6-9-3-4-10-8(7)11/h2,4-6H,1H3
InChIKeyOHKRLBYKLLJMFU-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.42
Rot. Bonds

About 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene

10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (PubChem CID 129201430) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.

Molecular Properties

Compound Name10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
PubChem CID129201430
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
SMILESCn1ccc2c1=NC=C=NC=2
InChIInChI=1S/C8H7N3/c1-11-5-2-7-6-9-3-4-10-8(7)11/h2,4-6H,1H3
InChIKeyOHKRLBYKLLJMFU-UHFFFAOYSA-N
XLogP-0.42
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene 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

7-methyl-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 60111512
N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine
CID 123484804
(2E,4Z)-N,2-bis(ethenyl)-N,N'-dimethylhepta-2,4,6-trienimidamide
CID 134524702
(3Z)-N-ethenyl-3-ethylidene-1-methylpyrrol-2-imine
CID 138667497
N-ethenyl-N-ethyl-3-methylidenepyrrol-2-amine
CID 143758476
ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
CID 144801132
2,5,10-Triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 176528342
ethane;(3Z)-3-ethylidene-1-methyl-N-[(Z)-prop-1-enyl]pyrrol-2-imine
CID 177983010
ethane;1-methyl-5H-pyrrolo[2,3-b]azepine
CID 177983025
ethane;ethenylidene-[(3Z)-3-ethylidene-1-methylpyrrol-2-ylidene]azanium
CID 178026721
ethane;(3Z)-N-ethenyl-3-ethylidene-1-methylpyrrol-2-imine
CID 178790965
3-methylidene-N-[(Z)-prop-1-enyl]-1-propylpyrrol-2-imine
CID 144801133

Frequently Asked Questions

What is the IUPAC name of 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The IUPAC name of 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene (CID 129201430) is 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene.
What is the SMILES notation for 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The canonical SMILES for 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is Cn1ccc2c1=NC=C=NC=2.
What is the InChIKey of 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
The InChIKey is OHKRLBYKLLJMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-11-5-2-7-6-9-3-4-10-8(7)11/h2,4-6H,1H3.
What are the key properties of 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene?
10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene has a molecular weight of 145.16 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2,5,10-triazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene is sourced from PubChem (CID 129201430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).