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

C10H18N4 — CID 59972098

IUPAC(1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene
SMILESCC1/N=C\C/C=N\C(C)N(C)C/C=N\1
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/b11-5-,12-7-,13-6-
InChIKeyOHDANUXLILJTIP-GATXABDHSA-N
MW194.28 g/mol
LogP1.23
Rot. Bonds

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

(1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene (PubChem CID 59972098) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene.

Molecular Properties

Compound Name(1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene
PubChem CID59972098
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene
SMILESCC1/N=C\C/C=N\C(C)N(C)C/C=N\1
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/b11-5-,12-7-,13-6-
InChIKeyOHDANUXLILJTIP-GATXABDHSA-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 (1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene?
The IUPAC name of (1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene (CID 59972098) is (1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene.
What is the SMILES notation for (1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene?
The canonical SMILES for (1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene is CC1/N=C\C/C=N\C(C)N(C)C/C=N\1.
What is the InChIKey of (1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene?
The InChIKey is OHDANUXLILJTIP-GATXABDHSA-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/b11-5-,12-7-,13-6-.
What are the key properties of (1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene?
(1Z,5Z,8Z)-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 (1Z,5Z,8Z)-2,3,7-trimethyl-1,3,6,8-tetrazacycloundeca-5,8,11-triene is sourced from PubChem (CID 59972098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).