(2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone

C11H19N5O — CID 114086861

IUPAC(2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCCc1nc(C(=O)N2CCN(C)CC2C)n[nH]1
InChIInChI=1S/C11H19N5O/c1-4-9-12-10(14-13-9)11(17)16-6-5-15(3)7-8(16)2/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyFIJMJLBNEDZKML-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.14
Rot. Bonds2

About (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone

(2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 114086861) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID114086861
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCCc1nc(C(=O)N2CCN(C)CC2C)n[nH]1
InChIInChI=1S/C11H19N5O/c1-4-9-12-10(14-13-9)11(17)16-6-5-15(3)7-8(16)2/h8H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyFIJMJLBNEDZKML-UHFFFAOYSA-N
XLogP0.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone (CID 114086861) is (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone is CCc1nc(C(=O)N2CCN(C)CC2C)n[nH]1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is FIJMJLBNEDZKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-9-12-10(14-13-9)11(17)16-6-5-15(3)7-8(16)2/h8H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone?
(2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 237.31 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(5-ethyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 114086861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).