5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine

C10H17N5 — CID 82470457

IUPAC5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine
SMILESCc1nnc(CN2CCNCC2)nc1C
InChIInChI=1S/C10H17N5/c1-8-9(2)13-14-10(12-8)7-15-5-3-11-4-6-15/h11H,3-7H2,1-2H3
InChIKeyNOEBJCAYHDVHSX-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.11
Rot. Bonds2

About 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine

5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine (PubChem CID 82470457) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine
PubChem CID82470457
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine
SMILESCc1nnc(CN2CCNCC2)nc1C
InChIInChI=1S/C10H17N5/c1-8-9(2)13-14-10(12-8)7-15-5-3-11-4-6-15/h11H,3-7H2,1-2H3
InChIKeyNOEBJCAYHDVHSX-UHFFFAOYSA-N
XLogP-0.11
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine?
The IUPAC name of 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine (CID 82470457) is 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine.
What is the SMILES notation for 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine?
The canonical SMILES for 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine is Cc1nnc(CN2CCNCC2)nc1C.
What is the InChIKey of 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine?
The InChIKey is NOEBJCAYHDVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-8-9(2)13-14-10(12-8)7-15-5-3-11-4-6-15/h11H,3-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine?
5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine has a molecular weight of 207.28 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(piperazin-1-ylmethyl)-1,2,4-triazine is sourced from PubChem (CID 82470457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).