6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol

C23H29N7O — CID 70352248

IUPAC6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol
SMILESOCCCCCCN1CCN(c2nc(-c3ccccn3)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C23H29N7O/c31-18-8-2-1-7-13-29-14-16-30(17-15-29)23-27-21(19-9-3-5-11-24-19)26-22(28-23)20-10-4-6-12-25-20/h3-6,9-12,31H,1-2,7-8,13-18H2
InChIKeyVSLVWYLPBJZQEU-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.67
Rot. Bonds9

About 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol

6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol (PubChem CID 70352248) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol
PubChem CID70352248
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol
SMILESOCCCCCCN1CCN(c2nc(-c3ccccn3)nc(-c3ccccn3)n2)CC1
InChIInChI=1S/C23H29N7O/c31-18-8-2-1-7-13-29-14-16-30(17-15-29)23-27-21(19-9-3-5-11-24-19)26-22(28-23)20-10-4-6-12-25-20/h3-6,9-12,31H,1-2,7-8,13-18H2
InChIKeyVSLVWYLPBJZQEU-UHFFFAOYSA-N
XLogP2.67
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol?
The IUPAC name of 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol (CID 70352248) is 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol?
The canonical SMILES for 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol is OCCCCCCN1CCN(c2nc(-c3ccccn3)nc(-c3ccccn3)n2)CC1.
What is the InChIKey of 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol?
The InChIKey is VSLVWYLPBJZQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c31-18-8-2-1-7-13-29-14-16-30(17-15-29)23-27-21(19-9-3-5-11-24-19)26-22(28-23)20-10-4-6-12-25-20/h3-6,9-12,31H,1-2,7-8,13-18H2.
What are the key properties of 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol?
6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol has a molecular weight of 419.53 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexan-1-ol is sourced from PubChem (CID 70352248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).