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

C14H19N5O — CID 102792806

IUPAC1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
SMILESCOc1cccc(Cc2nc(N3CCNCC3)n[nH]2)c1
InChIInChI=1S/C14H19N5O/c1-20-12-4-2-3-11(9-12)10-13-16-14(18-17-13)19-7-5-15-6-8-19/h2-4,9,15H,5-8,10H2,1H3,(H,16,17,18)
InChIKeyGWLQDOVAENFXAL-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.81
Rot. Bonds4

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

1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102792806) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102792806
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
SMILESCOc1cccc(Cc2nc(N3CCNCC3)n[nH]2)c1
InChIInChI=1S/C14H19N5O/c1-20-12-4-2-3-11(9-12)10-13-16-14(18-17-13)19-7-5-15-6-8-19/h2-4,9,15H,5-8,10H2,1H3,(H,16,17,18)
InChIKeyGWLQDOVAENFXAL-UHFFFAOYSA-N
XLogP0.81
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792860
1-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792807
4-N-[(3-methoxyphenyl)methyl]-2-N-[(5-methylpyrazin-2-yl)methyl]-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 134107744
2-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 62950738
1-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792811
5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
CID 96667978
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine
CID 117269337
3-methyl-1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798267
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
[1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800552

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine (CID 102792806) is 1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine is COc1cccc(Cc2nc(N3CCNCC3)n[nH]2)c1.
What is the InChIKey of 1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is GWLQDOVAENFXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-12-4-2-3-11(9-12)10-13-16-14(18-17-13)19-7-5-15-6-8-19/h2-4,9,15H,5-8,10H2,1H3,(H,16,17,18).
What are the key properties of 1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine?
1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 273.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102792806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).