4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one

C11H15N9O — CID 80749613

IUPAC4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one
SMILESCCNc1nc(N2CCNC(=O)C2)nc(-n2cncn2)n1
InChIInChI=1S/C11H15N9O/c1-2-13-9-16-10(19-4-3-14-8(21)5-19)18-11(17-9)20-7-12-6-15-20/h6-7H,2-5H2,1H3,(H,14,21)(H,13,16,17,18)
InChIKeyOMZVVLWAEPTWNP-UHFFFAOYSA-N
MW289.30 g/mol
LogP-1.18
Rot. Bonds4

About 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one

4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one (PubChem CID 80749613) has the molecular formula C11H15N9O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one
PubChem CID80749613
Molecular FormulaC11H15N9O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one
SMILESCCNc1nc(N2CCNC(=O)C2)nc(-n2cncn2)n1
InChIInChI=1S/C11H15N9O/c1-2-13-9-16-10(19-4-3-14-8(21)5-19)18-11(17-9)20-7-12-6-15-20/h6-7H,2-5H2,1H3,(H,14,21)(H,13,16,17,18)
InChIKeyOMZVVLWAEPTWNP-UHFFFAOYSA-N
XLogP-1.18
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one?
The IUPAC name of 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one (CID 80749613) is 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one?
The canonical SMILES for 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one is CCNc1nc(N2CCNC(=O)C2)nc(-n2cncn2)n1.
What is the InChIKey of 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one?
The InChIKey is OMZVVLWAEPTWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N9O/c1-2-13-9-16-10(19-4-3-14-8(21)5-19)18-11(17-9)20-7-12-6-15-20/h6-7H,2-5H2,1H3,(H,14,21)(H,13,16,17,18).
What are the key properties of 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one?
4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one has a molecular weight of 289.30 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-2-one is sourced from PubChem (CID 80749613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).