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

C12H21N5 — CID 64575258

IUPAC7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(CN2CCn3cnnc3C2)CCCNC1
InChIInChI=1S/C12H21N5/c1-12(3-2-4-13-8-12)9-16-5-6-17-10-14-15-11(17)7-16/h10,13H,2-9H2,1H3
InChIKeyJNOWDZLKHIQUAO-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.48
Rot. Bonds2

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

7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 64575258) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID64575258
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1(CN2CCn3cnnc3C2)CCCNC1
InChIInChI=1S/C12H21N5/c1-12(3-2-4-13-8-12)9-16-5-6-17-10-14-15-11(17)7-16/h10,13H,2-9H2,1H3
InChIKeyJNOWDZLKHIQUAO-UHFFFAOYSA-N
XLogP0.48
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 64575258) is 7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC1(CN2CCn3cnnc3C2)CCCNC1.
What is the InChIKey of 7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JNOWDZLKHIQUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-12(3-2-4-13-8-12)9-16-5-6-17-10-14-15-11(17)7-16/h10,13H,2-9H2,1H3.
What are the key properties of 7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 235.33 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 64575258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).