1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide

C12H20N6O — CID 114787143

IUPAC1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nnc(C)c(C)n1
InChIInChI=1S/C12H20N6O/c1-4-14-11(19)10-7-13-5-6-18(10)12-15-8(2)9(3)16-17-12/h10,13H,4-7H2,1-3H3,(H,14,19)
InChIKeyVTXGRNJXJCLBND-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.60
Rot. Bonds3

About 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide

1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide (PubChem CID 114787143) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide
PubChem CID114787143
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1nnc(C)c(C)n1
InChIInChI=1S/C12H20N6O/c1-4-14-11(19)10-7-13-5-6-18(10)12-15-8(2)9(3)16-17-12/h10,13H,4-7H2,1-3H3,(H,14,19)
InChIKeyVTXGRNJXJCLBND-UHFFFAOYSA-N
XLogP-0.60
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide (CID 114787143) is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1nnc(C)c(C)n1.
What is the InChIKey of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is VTXGRNJXJCLBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-4-14-11(19)10-7-13-5-6-18(10)12-15-8(2)9(3)16-17-12/h10,13H,4-7H2,1-3H3,(H,14,19).
What are the key properties of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide?
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 114787143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).