4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde

C9H13N5O2 — CID 23412064

IUPAC4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde
SMILESCc1n[nH]c(=O)nc1N1CCN(C=O)CC1
InChIInChI=1S/C9H13N5O2/c1-7-8(10-9(16)12-11-7)14-4-2-13(6-15)3-5-14/h6H,2-5H2,1H3,(H,10,12,16)
InChIKeyZVZADZMKHUEXTF-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.25
Rot. Bonds2

About 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde

4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde (PubChem CID 23412064) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde
PubChem CID23412064
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde
SMILESCc1n[nH]c(=O)nc1N1CCN(C=O)CC1
InChIInChI=1S/C9H13N5O2/c1-7-8(10-9(16)12-11-7)14-4-2-13(6-15)3-5-14/h6H,2-5H2,1H3,(H,10,12,16)
InChIKeyZVZADZMKHUEXTF-UHFFFAOYSA-N
XLogP-1.25
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde 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-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde (CID 23412064) is 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde is Cc1n[nH]c(=O)nc1N1CCN(C=O)CC1.
What is the InChIKey of 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde?
The InChIKey is ZVZADZMKHUEXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-7-8(10-9(16)12-11-7)14-4-2-13(6-15)3-5-14/h6H,2-5H2,1H3,(H,10,12,16).
What are the key properties of 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde?
4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde has a molecular weight of 223.24 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 23412064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).