7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C12H21N5 — CID 95813205

IUPAC7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1CCC(c2nnc3n2CCN(C)C3)CC1
InChIInChI=1S/C12H21N5/c1-15-5-3-10(4-6-15)12-14-13-11-9-16(2)7-8-17(11)12/h10H,3-9H2,1-2H3
InChIKeyHXLQVQOCFWGRDR-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.53
Rot. Bonds1

About 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 95813205) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID95813205
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCN1CCC(c2nnc3n2CCN(C)C3)CC1
InChIInChI=1S/C12H21N5/c1-15-5-3-10(4-6-15)12-14-13-11-9-16(2)7-8-17(11)12/h10H,3-9H2,1-2H3
InChIKeyHXLQVQOCFWGRDR-UHFFFAOYSA-N
XLogP0.53
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 95813205) is 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CN1CCC(c2nnc3n2CCN(C)C3)CC1.
What is the InChIKey of 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HXLQVQOCFWGRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-15-5-3-10(4-6-15)12-14-13-11-9-16(2)7-8-17(11)12/h10H,3-9H2,1-2H3.
What are the key properties of 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 235.33 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 95813205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).