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

C20H23N5O2 — CID 142648088

IUPAC4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol
SMILESCOc1ccc(-c2nc(-c3cccc(CN4CCNC(O)C4)c3)n[nH]2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-7-5-15(6-8-17)19-22-20(24-23-19)16-4-2-3-14(11-16)12-25-10-9-21-18(26)13-25/h2-8,11,18,21,26H,9-10,12-13H2,1H3,(H,22,23,24)
InChIKeyFQTIEDSZNRRGHD-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.87
Rot. Bonds5

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

4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol (PubChem CID 142648088) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol.

Molecular Properties

Compound Name4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol
PubChem CID142648088
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol
SMILESCOc1ccc(-c2nc(-c3cccc(CN4CCNC(O)C4)c3)n[nH]2)cc1
InChIInChI=1S/C20H23N5O2/c1-27-17-7-5-15(6-8-17)19-22-20(24-23-19)16-4-2-3-14(11-16)12-25-10-9-21-18(26)13-25/h2-8,11,18,21,26H,9-10,12-13H2,1H3,(H,22,23,24)
InChIKeyFQTIEDSZNRRGHD-UHFFFAOYSA-N
XLogP1.87
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol with MolForge

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Related Compounds

5-(3-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole;hydrochloride
CID 21180336
5-(4-fluorophenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole;hydrochloride
CID 21180398
N-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-N-methylethanamine
CID 21180315
3-[3-(pyrrolidin-1-ylmethyl)phenyl]-5-(4-pyrrol-1-ylphenyl)-1H-1,2,4-triazole;hydrochloride
CID 21180256
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[4-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]benzamide
CID 167946728
5-(2,3-dihydro-1H-inden-5-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole
CID 21180339
5-(4,5-dichloro-2-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole
CID 21180252
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
(3S)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 66524664
(3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine
CID 86328502
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55357828
4-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 44573499

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol?
The IUPAC name of 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol (CID 142648088) is 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol.
What is the SMILES notation for 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol?
The canonical SMILES for 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol is COc1ccc(-c2nc(-c3cccc(CN4CCNC(O)C4)c3)n[nH]2)cc1.
What is the InChIKey of 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol?
The InChIKey is FQTIEDSZNRRGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-17-7-5-15(6-8-17)19-22-20(24-23-19)16-4-2-3-14(11-16)12-25-10-9-21-18(26)13-25/h2-8,11,18,21,26H,9-10,12-13H2,1H3,(H,22,23,24).
What are the key properties of 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol?
4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol has a molecular weight of 365.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]piperazin-2-ol is sourced from PubChem (CID 142648088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).