2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine

C13H18N6 — CID 72905551

IUPAC2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine
SMILESCc1nc(-c2cnccn2)n(C2CCN(C)CC2)n1
InChIInChI=1S/C13H18N6/c1-10-16-13(12-9-14-5-6-15-12)19(17-10)11-3-7-18(2)8-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyPCZUNJUXGRXAAG-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.31
Rot. Bonds2

About 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine

2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine (PubChem CID 72905551) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine
PubChem CID72905551
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine
SMILESCc1nc(-c2cnccn2)n(C2CCN(C)CC2)n1
InChIInChI=1S/C13H18N6/c1-10-16-13(12-9-14-5-6-15-12)19(17-10)11-3-7-18(2)8-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3
InChIKeyPCZUNJUXGRXAAG-UHFFFAOYSA-N
XLogP1.31
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-pyrazine
CID 655445
6,7,8,9-Tetrahydro-3-(2-pyrazinyl)-5H-1,2,4-triazolo[4,3-a]azepine
CID 2331358
N,N-dimethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 176142001
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928249
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928525
N-[(5-methylpyrazin-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 71932904
4-Ethyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869139
2-[5-(1-isopentyl-3-piperidyl)-4H-1,2,4-triazol-3-yl]pyrazine
CID 53192062
2-(5-piperidin-2-yl-4H-1,2,4-triazol-3-yl)pyrazine
CID 86820405
3,5-di(2-pyrazinyl)-4H-1,2,4-triazol-4-ylamine
CID 3838266
3-(2-Pyrazinyl)-1,2,4-triazine
CID 67443903
2-{1-butyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-5-yl}-5-methylpyrazine
CID 72881549

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine (CID 72905551) is 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine is Cc1nc(-c2cnccn2)n(C2CCN(C)CC2)n1.
What is the InChIKey of 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is PCZUNJUXGRXAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-10-16-13(12-9-14-5-6-15-12)19(17-10)11-3-7-18(2)8-4-11/h5-6,9,11H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine?
2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 258.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 72905551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).