1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine

C15H21N5O — CID 102792807

IUPAC1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine
SMILESCOc1ccc(CCc2nc(N3CCNCC3)n[nH]2)cc1
InChIInChI=1S/C15H21N5O/c1-21-13-5-2-12(3-6-13)4-7-14-17-15(19-18-14)20-10-8-16-9-11-20/h2-3,5-6,16H,4,7-11H2,1H3,(H,17,18,19)
InChIKeyKKZZVPKUYRKPHV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.01
Rot. Bonds5

About 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine

1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102792807) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102792807
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine
SMILESCOc1ccc(CCc2nc(N3CCNCC3)n[nH]2)cc1
InChIInChI=1S/C15H21N5O/c1-21-13-5-2-12(3-6-13)4-7-14-17-15(19-18-14)20-10-8-16-9-11-20/h2-3,5-6,16H,4,7-11H2,1H3,(H,17,18,19)
InChIKeyKKZZVPKUYRKPHV-UHFFFAOYSA-N
XLogP1.01
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792806
3-ethyl-5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazole
CID 61277923
(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797603
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]-1,4-diazepane
CID 102796958
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82296397
1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792860
[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]imino-dimethyl-oxo-λ6-sulfane
CID 167881996
1-[5-(phenylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792742
6-methoxy-N-(3-phenylpropyl)-2-piperazin-1-ylquinazolin-4-amine
CID 44532421
2-[2-(4-methoxyphenyl)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 60979184
1-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792811

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine (CID 102792807) is 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine is COc1ccc(CCc2nc(N3CCNCC3)n[nH]2)cc1.
What is the InChIKey of 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is KKZZVPKUYRKPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-21-13-5-2-12(3-6-13)4-7-14-17-15(19-18-14)20-10-8-16-9-11-20/h2-3,5-6,16H,4,7-11H2,1H3,(H,17,18,19).
What are the key properties of 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine?
1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 287.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102792807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).