2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine

C17H21N7 — CID 23172417

IUPAC2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine
SMILESC1=CCN(c2nc(N3C=CC=CC3)nc(N3CCNCC3)n2)C=C1
InChIInChI=1S/C17H21N7/c1-3-9-22(10-4-1)15-19-16(23-11-5-2-6-12-23)21-17(20-15)24-13-7-18-8-14-24/h1-6,9,11,18H,7-8,10,12-14H2
InChIKeyKDHDEUIUEUFRPF-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.06
Rot. Bonds3

About 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine

2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine (PubChem CID 23172417) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine
PubChem CID23172417
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine
SMILESC1=CCN(c2nc(N3C=CC=CC3)nc(N3CCNCC3)n2)C=C1
InChIInChI=1S/C17H21N7/c1-3-9-22(10-4-1)15-19-16(23-11-5-2-6-12-23)21-17(20-15)24-13-7-18-8-14-24/h1-6,9,11,18H,7-8,10,12-14H2
InChIKeyKDHDEUIUEUFRPF-UHFFFAOYSA-N
XLogP1.06
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine (CID 23172417) is 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine is C1=CCN(c2nc(N3C=CC=CC3)nc(N3CCNCC3)n2)C=C1.
What is the InChIKey of 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine?
The InChIKey is KDHDEUIUEUFRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-3-9-22(10-4-1)15-19-16(23-11-5-2-6-12-23)21-17(20-15)24-13-7-18-8-14-24/h1-6,9,11,18H,7-8,10,12-14H2.
What are the key properties of 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine?
2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine has a molecular weight of 323.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4,6-bis(2H-pyridin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 23172417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).