1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine

C17H23N5 — CID 155909031

IUPAC1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
SMILESCN1CCN(Cc2nnc3n2Cc2ccccc2CC3)CC1
InChIInChI=1S/C17H23N5/c1-20-8-10-21(11-9-20)13-17-19-18-16-7-6-14-4-2-3-5-15(14)12-22(16)17/h2-5H,6-13H2,1H3
InChIKeyWKZCZRAGINUFNL-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.17
Rot. Bonds2

About 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine

1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine (PubChem CID 155909031) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
PubChem CID155909031
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
SMILESCN1CCN(Cc2nnc3n2Cc2ccccc2CC3)CC1
InChIInChI=1S/C17H23N5/c1-20-8-10-21(11-9-20)13-17-19-18-16-7-6-14-4-2-3-5-15(14)12-22(16)17/h2-5H,6-13H2,1H3
InChIKeyWKZCZRAGINUFNL-UHFFFAOYSA-N
XLogP1.17
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine with MolForge

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Related Compounds

formic acid;1-(piperidin-1-ylmethyl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 163341544
1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 157014235
1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 162636407
1-[[5-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
CID 72872598
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 122244932
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 154882662
(3S)-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 90146748
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
5-(2-chlorophenyl)-1-[(4-methylpiperazin-1-yl)methyl]-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
CID 15651081
1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylmethyl)piperazine
CID 13164420
3-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 121185432
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine (CID 155909031) is 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine is CN1CCN(Cc2nnc3n2Cc2ccccc2CC3)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
The InChIKey is WKZCZRAGINUFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-20-8-10-21(11-9-20)13-17-19-18-16-7-6-14-4-2-3-5-15(14)12-22(16)17/h2-5H,6-13H2,1H3.
What are the key properties of 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine has a molecular weight of 297.41 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine is sourced from PubChem (CID 155909031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).