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

C17H25N5O — CID 131921883

IUPAC1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
SMILESCOc1ccccc1Cc1nc(C(C)N2CCN(C)CC2)n[nH]1
InChIInChI=1S/C17H25N5O/c1-13(22-10-8-21(2)9-11-22)17-18-16(19-20-17)12-14-6-4-5-7-15(14)23-3/h4-7,13H,8-12H2,1-3H3,(H,18,19,20)
InChIKeyKPYIOWCLXPFEND-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.71
Rot. Bonds5

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

1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine (PubChem CID 131921883) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
PubChem CID131921883
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
SMILESCOc1ccccc1Cc1nc(C(C)N2CCN(C)CC2)n[nH]1
InChIInChI=1S/C17H25N5O/c1-13(22-10-8-21(2)9-11-22)17-18-16(19-20-17)12-14-6-4-5-7-15(14)23-3/h4-7,13H,8-12H2,1-3H3,(H,18,19,20)
InChIKeyKPYIOWCLXPFEND-UHFFFAOYSA-N
XLogP1.71
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 167768163
formic acid;1-[[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methyl]azepane
CID 154913533
1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794329
[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]imino-dimethyl-oxo-λ6-sulfane
CID 167763290
1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine
CID 131946901
1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine
CID 97214554
2-chloro-5-methoxy-4-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]aniline
CID 82568896
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
CID 124621758
1-[1-[2-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine;formic acid
CID 154911901

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine (CID 131921883) is 1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine is COc1ccccc1Cc1nc(C(C)N2CCN(C)CC2)n[nH]1.
What is the InChIKey of 1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
The InChIKey is KPYIOWCLXPFEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(22-10-8-21(2)9-11-22)17-18-16(19-20-17)12-14-6-4-5-7-15(14)23-3/h4-7,13H,8-12H2,1-3H3,(H,18,19,20).
What are the key properties of 1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine has a molecular weight of 315.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 131921883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).