1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine

C26H35N5O2 — CID 163901494

IUPAC1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine
SMILESCOc1ccccc1N1CCN(CCCCOc2cccc(CN3N=NCC=C3C)c2)CC1
InChIInChI=1S/C26H35N5O2/c1-22-12-13-27-28-31(22)21-23-8-7-9-24(20-23)33-19-6-5-14-29-15-17-30(18-16-29)25-10-3-4-11-26(25)32-2/h3-4,7-12,20H,5-6,13-19,21H2,1-2H3
InChIKeyQKGHYMVEHBLNEV-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.76
Rot. Bonds10

About 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine

1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine (PubChem CID 163901494) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine.

Molecular Properties

Compound Name1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine
PubChem CID163901494
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine
SMILESCOc1ccccc1N1CCN(CCCCOc2cccc(CN3N=NCC=C3C)c2)CC1
InChIInChI=1S/C26H35N5O2/c1-22-12-13-27-28-31(22)21-23-8-7-9-24(20-23)33-19-6-5-14-29-15-17-30(18-16-29)25-10-3-4-11-26(25)32-2/h3-4,7-12,20H,5-6,13-19,21H2,1-2H3
InChIKeyQKGHYMVEHBLNEV-UHFFFAOYSA-N
XLogP4.76
TPSA52.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-4-[2-[3-[3-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenoxy]propoxy]phenyl]ethyl]piperazine
CID 23661594
N-amino-1-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-N-(propan-2-ylideneamino)methanamine
CID 143901780
3-iodo-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072630
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-2-methyl-1,3-benzothiazole
CID 146025612
1-(2-methoxyphenyl)-4-[4-[4-[2-(5-methyltetrazol-5-yl)ethyl]phenoxy]butyl]piperazine
CID 66909941
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
1-(2-methoxyphenyl)-4-[4-[4-[(5-methyltetrazol-1-yl)methyl]phenoxy]butyl]piperazine
CID 44538353
1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine
CID 44538141
1-[4-[4-[(4,5-dichloroimidazol-1-yl)methyl]phenoxy]butyl]-4-(2-methoxyphenyl)piperazine
CID 44538453
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-[2-[2-[2-[2-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzamide
CID 56837636
1-[4-[4-[2-(1,3-dihydrotetrazol-2-yl)ethyl]phenoxy]butyl]-4-(2-methoxyphenyl)piperazine
CID 143901767

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine?
The IUPAC name of 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine (CID 163901494) is 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine.
What is the SMILES notation for 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine?
The canonical SMILES for 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine is COc1ccccc1N1CCN(CCCCOc2cccc(CN3N=NCC=C3C)c2)CC1.
What is the InChIKey of 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine?
The InChIKey is QKGHYMVEHBLNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-22-12-13-27-28-31(22)21-23-8-7-9-24(20-23)33-19-6-5-14-29-15-17-30(18-16-29)25-10-3-4-11-26(25)32-2/h3-4,7-12,20H,5-6,13-19,21H2,1-2H3.
What are the key properties of 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine?
1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine has a molecular weight of 449.60 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]methyl]-6-methyl-4H-triazine is sourced from PubChem (CID 163901494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).