2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine

C13H18N6 — CID 91648183

IUPAC2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC(c3ncn[nH]3)CC2)n1
InChIInChI=1S/C13H18N6/c1-9-7-14-10(2)13(17-9)19-5-3-11(4-6-19)12-15-8-16-18-12/h7-8,11H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyALNZMYONGGOZTC-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.60
Rot. Bonds2

About 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine

2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine (PubChem CID 91648183) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
PubChem CID91648183
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCC(c3ncn[nH]3)CC2)n1
InChIInChI=1S/C13H18N6/c1-9-7-14-10(2)13(17-9)19-5-3-11(4-6-19)12-15-8-16-18-12/h7-8,11H,3-6H2,1-2H3,(H,15,16,18)
InChIKeyALNZMYONGGOZTC-UHFFFAOYSA-N
XLogP1.60
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine (CID 91648183) is 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine is Cc1cnc(C)c(N2CCC(c3ncn[nH]3)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine?
The InChIKey is ALNZMYONGGOZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-7-14-10(2)13(17-9)19-5-3-11(4-6-19)12-15-8-16-18-12/h7-8,11H,3-6H2,1-2H3,(H,15,16,18).
What are the key properties of 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine?
2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine has a molecular weight of 258.33 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 91648183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).