5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one

C10H17N5O — CID 3151755

IUPAC5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCN1CCN(c2nc(=O)[nH]nc2C)CC1
InChIInChI=1S/C10H17N5O/c1-3-14-4-6-15(7-5-14)9-8(2)12-13-10(16)11-9/h3-7H2,1-2H3,(H,11,13,16)
InChIKeyMVEYARRUKIGPBS-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.38
Rot. Bonds2

About 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one

5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 3151755) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID3151755
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCN1CCN(c2nc(=O)[nH]nc2C)CC1
InChIInChI=1S/C10H17N5O/c1-3-14-4-6-15(7-5-14)9-8(2)12-13-10(16)11-9/h3-7H2,1-2H3,(H,11,13,16)
InChIKeyMVEYARRUKIGPBS-UHFFFAOYSA-N
XLogP-0.38
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one (CID 3151755) is 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one is CCN1CCN(c2nc(=O)[nH]nc2C)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is MVEYARRUKIGPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-3-14-4-6-15(7-5-14)9-8(2)12-13-10(16)11-9/h3-7H2,1-2H3,(H,11,13,16).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one?
5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 223.28 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 3151755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).