8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene

C8H13N3 — CID 130257225

IUPAC8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene
SMILESCC1=NC2C=C(CCNC2)N1
InChIInChI=1S/C8H13N3/c1-6-10-7-2-3-9-5-8(4-7)11-6/h4,8-9H,2-3,5H2,1H3,(H,10,11)
InChIKeyPFXBQYWJOMSOBR-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.25
Rot. Bonds

About 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene

8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene (PubChem CID 130257225) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene.

Molecular Properties

Compound Name8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene
PubChem CID130257225
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene
SMILESCC1=NC2C=C(CCNC2)N1
InChIInChI=1S/C8H13N3/c1-6-10-7-2-3-9-5-8(4-7)11-6/h4,8-9H,2-3,5H2,1H3,(H,10,11)
InChIKeyPFXBQYWJOMSOBR-UHFFFAOYSA-N
XLogP0.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene?
The IUPAC name of 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene (CID 130257225) is 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene.
What is the SMILES notation for 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene?
The canonical SMILES for 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene is CC1=NC2C=C(CCNC2)N1.
What is the InChIKey of 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene?
The InChIKey is PFXBQYWJOMSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-10-7-2-3-9-5-8(4-7)11-6/h4,8-9H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene?
8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene has a molecular weight of 151.21 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene is sourced from PubChem (CID 130257225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).