2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene

C10H18N4 — CID 72610695

IUPAC2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene
SMILESCC1N=CCC=NC(C)N(C)CC=N1
InChIInChI=1S/C10H18N4/c1-9-11-5-4-6-13-10(2)14(3)8-7-12-9/h5-7,9-10H,4,8H2,1-3H3
InChIKeyOHDANUXLILJTIP-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.23
Rot. Bonds

About 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene

2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene (PubChem CID 72610695) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene.

Molecular Properties

Compound Name2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene
PubChem CID72610695
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene
SMILESCC1N=CCC=NC(C)N(C)CC=N1
InChIInChI=1S/C10H18N4/c1-9-11-5-4-6-13-10(2)14(3)8-7-12-9/h5-7,9-10H,4,8H2,1-3H3
InChIKeyOHDANUXLILJTIP-UHFFFAOYSA-N
XLogP1.23
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene?
The IUPAC name of 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene (CID 72610695) is 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene.
What is the SMILES notation for 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene?
The canonical SMILES for 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene is CC1N=CCC=NC(C)N(C)CC=N1.
What is the InChIKey of 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene?
The InChIKey is OHDANUXLILJTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9-11-5-4-6-13-10(2)14(3)8-7-12-9/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene?
2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene has a molecular weight of 194.28 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene is sourced from PubChem (CID 72610695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).