4-amino-1,3,5-triazacyclotridec-4-en-2-one

C10H20N4O — CID 25214817

IUPAC4-amino-1,3,5-triazacyclotridec-4-en-2-one
SMILESN/C1=N/CCCCCCCCNC(=O)N1
InChIInChI=1S/C10H20N4O/c11-9-12-7-5-3-1-2-4-6-8-13-10(15)14-9/h1-8H2,(H4,11,12,13,14,15)
InChIKeyPJQGQXOXPHKUDY-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.95
Rot. Bonds

About 4-amino-1,3,5-triazacyclotridec-4-en-2-one

4-amino-1,3,5-triazacyclotridec-4-en-2-one (PubChem CID 25214817) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-amino-1,3,5-triazacyclotridec-4-en-2-one.

Molecular Properties

Compound Name4-amino-1,3,5-triazacyclotridec-4-en-2-one
PubChem CID25214817
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name4-amino-1,3,5-triazacyclotridec-4-en-2-one
SMILESN/C1=N/CCCCCCCCNC(=O)N1
InChIInChI=1S/C10H20N4O/c11-9-12-7-5-3-1-2-4-6-8-13-10(15)14-9/h1-8H2,(H4,11,12,13,14,15)
InChIKeyPJQGQXOXPHKUDY-UHFFFAOYSA-N
XLogP0.95
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3,5-triazacyclotridec-4-en-2-one?
The IUPAC name of 4-amino-1,3,5-triazacyclotridec-4-en-2-one (CID 25214817) is 4-amino-1,3,5-triazacyclotridec-4-en-2-one.
What is the SMILES notation for 4-amino-1,3,5-triazacyclotridec-4-en-2-one?
The canonical SMILES for 4-amino-1,3,5-triazacyclotridec-4-en-2-one is N/C1=N/CCCCCCCCNC(=O)N1.
What is the InChIKey of 4-amino-1,3,5-triazacyclotridec-4-en-2-one?
The InChIKey is PJQGQXOXPHKUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c11-9-12-7-5-3-1-2-4-6-8-13-10(15)14-9/h1-8H2,(H4,11,12,13,14,15).
What are the key properties of 4-amino-1,3,5-triazacyclotridec-4-en-2-one?
4-amino-1,3,5-triazacyclotridec-4-en-2-one has a molecular weight of 212.30 g/mol, XLogP of 0.95, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3,5-triazacyclotridec-4-en-2-one is sourced from PubChem (CID 25214817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).