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

C19H32N8 — CID 72874253

IUPAC1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCc1[nH]cnc1CN1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1
InChIInChI=1S/C19H32N8/c1-15-17(21-14-20-15)12-26-6-4-16(5-7-26)19-23-22-18(25(19)3)13-27-10-8-24(2)9-11-27/h14,16H,4-13H2,1-3H3,(H,20,21)
InChIKeyAXJHEQIJCUVXDW-UHFFFAOYSA-N
MW372.52 g/mol
LogP0.97
Rot. Bonds5

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

1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine (PubChem CID 72874253) has the molecular formula C19H32N8 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine
PubChem CID72874253
Molecular FormulaC19H32N8
Molecular Weight372.52 g/mol
Exact Mass372.27
IUPAC Name1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine
SMILESCc1[nH]cnc1CN1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1
InChIInChI=1S/C19H32N8/c1-15-17(21-14-20-15)12-26-6-4-16(5-7-26)19-23-22-18(25(19)3)13-27-10-8-24(2)9-11-27/h14,16H,4-13H2,1-3H3,(H,20,21)
InChIKeyAXJHEQIJCUVXDW-UHFFFAOYSA-N
XLogP0.97
TPSA69.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine with MolForge

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Related Compounds

1-[(4-methyl-5-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}-4H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 70717218
1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721798
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(1H-imidazol-4-ylmethyl)piperidine
CID 72890372
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 129623994
1-methyl-4-[[5-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 136276433
1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
CID 50969252
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 50978613
3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 50984135
4-{1-butyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-5-yl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 72892125
(9-Pentyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]purin-3-yl)methanamine
CID 141192285
2-(9-Pentyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]purin-3-yl)ethanamine
CID 141192298
7-Cyclobutyl-3-methyl-9-pentyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]purine
CID 141192309

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine (CID 72874253) is 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine is Cc1[nH]cnc1CN1CCC(c2nnc(CN3CCN(C)CC3)n2C)CC1.
What is the InChIKey of 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine?
The InChIKey is AXJHEQIJCUVXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N8/c1-15-17(21-14-20-15)12-26-6-4-16(5-7-26)19-23-22-18(25(19)3)13-27-10-8-24(2)9-11-27/h14,16H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine?
1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine has a molecular weight of 372.52 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-methyl-5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperazine is sourced from PubChem (CID 72874253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).