2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol

C14H19N5O — CID 154737420

IUPAC2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol
SMILESCn1cc(CN2CCN(c3ccccc3O)CC2)nn1
InChIInChI=1S/C14H19N5O/c1-17-10-12(15-16-17)11-18-6-8-19(9-7-18)13-4-2-3-5-14(13)20/h2-5,10,20H,6-9,11H2,1H3
InChIKeyHXRLDQUITGEPSG-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.84
Rot. Bonds3

About 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol

2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol (PubChem CID 154737420) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol
PubChem CID154737420
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol
SMILESCn1cc(CN2CCN(c3ccccc3O)CC2)nn1
InChIInChI=1S/C14H19N5O/c1-17-10-12(15-16-17)11-18-6-8-19(9-7-18)13-4-2-3-5-14(13)20/h2-5,10,20H,6-9,11H2,1H3
InChIKeyHXRLDQUITGEPSG-UHFFFAOYSA-N
XLogP0.84
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol (CID 154737420) is 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol is Cn1cc(CN2CCN(c3ccccc3O)CC2)nn1.
What is the InChIKey of 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol?
The InChIKey is HXRLDQUITGEPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-17-10-12(15-16-17)11-18-6-8-19(9-7-18)13-4-2-3-5-14(13)20/h2-5,10,20H,6-9,11H2,1H3.
What are the key properties of 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol?
2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol has a molecular weight of 273.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyltriazol-4-yl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 154737420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).