12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene

C14H23N3 — CID 83218138

IUPAC12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene
SMILESCCCN1CCc2nc3n(c2C1)CC(C)CC3
InChIInChI=1S/C14H23N3/c1-3-7-16-8-6-12-13(10-16)17-9-11(2)4-5-14(17)15-12/h11H,3-10H2,1-2H3
InChIKeyISCNRHPOMQWCSE-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.23
Rot. Bonds2

About 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene

12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene (PubChem CID 83218138) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene.

Molecular Properties

Compound Name12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene
PubChem CID83218138
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene
SMILESCCCN1CCc2nc3n(c2C1)CC(C)CC3
InChIInChI=1S/C14H23N3/c1-3-7-16-8-6-12-13(10-16)17-9-11(2)4-5-14(17)15-12/h11H,3-10H2,1-2H3
InChIKeyISCNRHPOMQWCSE-UHFFFAOYSA-N
XLogP2.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene?
The IUPAC name of 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene (CID 83218138) is 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene.
What is the SMILES notation for 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene?
The canonical SMILES for 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene is CCCN1CCc2nc3n(c2C1)CC(C)CC3.
What is the InChIKey of 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene?
The InChIKey is ISCNRHPOMQWCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-7-16-8-6-12-13(10-16)17-9-11(2)4-5-14(17)15-12/h11H,3-10H2,1-2H3.
What are the key properties of 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene?
12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene has a molecular weight of 233.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-4-propyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8-diene is sourced from PubChem (CID 83218138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).