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

C19H29N5O — CID 131946901

IUPAC1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine
SMILESCOc1ccc(Cc2nc(CCC(C)N3CCN(C)CC3)n[nH]2)cc1
InChIInChI=1S/C19H29N5O/c1-15(24-12-10-23(2)11-13-24)4-9-18-20-19(22-21-18)14-16-5-7-17(25-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,20,21,22)
InChIKeyGBVQOBPHNMPWEG-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.97
Rot. Bonds7

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

1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine (PubChem CID 131946901) has the molecular formula C19H29N5O and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine
PubChem CID131946901
Molecular FormulaC19H29N5O
Molecular Weight343.47 g/mol
Exact Mass343.24
IUPAC Name1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine
SMILESCOc1ccc(Cc2nc(CCC(C)N3CCN(C)CC3)n[nH]2)cc1
InChIInChI=1S/C19H29N5O/c1-15(24-12-10-23(2)11-13-24)4-9-18-20-19(22-21-18)14-16-5-7-17(25-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,20,21,22)
InChIKeyGBVQOBPHNMPWEG-UHFFFAOYSA-N
XLogP1.97
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine with MolForge

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Related Compounds

[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600800
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
1-[3-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 82568233
N-[2-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzenesulfonamide
CID 53090390
1-[1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
CID 131921883
3-ethyl-5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazole
CID 61277923
1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 7441278
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
1-[2-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]piperidin-2-one
CID 131949463
5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 55090566
5-[(4-methylphenyl)methyl]-3-propyl-1H-1,2,4-triazole
CID 61337312

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine (CID 131946901) is 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine is COc1ccc(Cc2nc(CCC(C)N3CCN(C)CC3)n[nH]2)cc1.
What is the InChIKey of 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine?
The InChIKey is GBVQOBPHNMPWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15(24-12-10-23(2)11-13-24)4-9-18-20-19(22-21-18)14-16-5-7-17(25-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,20,21,22).
What are the key properties of 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine?
1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine has a molecular weight of 343.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]butan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 131946901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).