4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one

C14H19N5O2 — CID 12952793

IUPAC4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(C)c(=O)n1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H19N5O2/c1-11-15-16(2)14(21)19(11)18-9-7-17(8-10-18)12-3-5-13(20)6-4-12/h3-6,20H,7-10H2,1-2H3
InChIKeyUSSXEBHCZQWCSC-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.05
Rot. Bonds2

About 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one

4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one (PubChem CID 12952793) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one
PubChem CID12952793
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(C)c(=O)n1N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H19N5O2/c1-11-15-16(2)14(21)19(11)18-9-7-17(8-10-18)12-3-5-13(20)6-4-12/h3-6,20H,7-10H2,1-2H3
InChIKeyUSSXEBHCZQWCSC-UHFFFAOYSA-N
XLogP0.05
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one (CID 12952793) is 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one is Cc1nn(C)c(=O)n1N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one?
The InChIKey is USSXEBHCZQWCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-11-15-16(2)14(21)19(11)18-9-7-17(8-10-18)12-3-5-13(20)6-4-12/h3-6,20H,7-10H2,1-2H3.
What are the key properties of 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one?
4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one has a molecular weight of 289.34 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2,5-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 12952793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).