2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol

C15H21N5O — CID 71934169

IUPAC2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C15H21N5O/c21-11-10-18-6-8-19(9-7-18)12-14-13-20(17-16-14)15-4-2-1-3-5-15/h1-5,13,21H,6-12H2
InChIKeyCKQMLVDOTNRHKC-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.38
Rot. Bonds5

About 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 71934169) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol
PubChem CID71934169
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C15H21N5O/c21-11-10-18-6-8-19(9-7-18)12-14-13-20(17-16-14)15-4-2-1-3-5-15/h1-5,13,21H,6-12H2
InChIKeyCKQMLVDOTNRHKC-UHFFFAOYSA-N
XLogP0.38
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol (CID 71934169) is 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2cn(-c3ccccc3)nn2)CC1.
What is the InChIKey of 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is CKQMLVDOTNRHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-11-10-18-6-8-19(9-7-18)12-14-13-20(17-16-14)15-4-2-1-3-5-15/h1-5,13,21H,6-12H2.
What are the key properties of 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 287.37 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-phenyltriazol-4-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 71934169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).