(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone

C16H21N5O — CID 42692541

IUPAC(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2nc(C)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N5O/c1-3-19-9-11-20(12-10-19)16(22)15-17-13(2)21(18-15)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3
InChIKeyUEGRGSMPZUNLLT-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.35
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone

(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone (PubChem CID 42692541) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
PubChem CID42692541
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
SMILESCCN1CCN(C(=O)c2nc(C)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H21N5O/c1-3-19-9-11-20(12-10-19)16(22)15-17-13(2)21(18-15)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3
InChIKeyUEGRGSMPZUNLLT-UHFFFAOYSA-N
XLogP1.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone (CID 42692541) is (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone is CCN1CCN(C(=O)c2nc(C)n(-c3ccccc3)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is UEGRGSMPZUNLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-19-9-11-20(12-10-19)16(22)15-17-13(2)21(18-15)14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone?
(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 42692541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).