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

C17H35N5 — CID 178033999

IUPACethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC.CC.CCN1CCC(c2nnc3n2CCN(C)C3)CC1
InChIInChI=1S/C13H23N5.2C2H6/c1-3-17-6-4-11(5-7-17)13-15-14-12-10-16(2)8-9-18(12)13;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyWZIVJVLOARJEJH-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.98
Rot. Bonds2

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

ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 178033999) has the molecular formula C17H35N5 and a molecular weight of 309.50 g/mol. Its IUPAC name is ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Nameethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID178033999
Molecular FormulaC17H35N5
Molecular Weight309.50 g/mol
Exact Mass309.29
IUPAC Nameethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC.CC.CCN1CCC(c2nnc3n2CCN(C)C3)CC1
InChIInChI=1S/C13H23N5.2C2H6/c1-3-17-6-4-11(5-7-17)13-15-14-12-10-16(2)8-9-18(12)13;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyWZIVJVLOARJEJH-UHFFFAOYSA-N
XLogP2.98
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 178033999) is ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC.CC.CCN1CCC(c2nnc3n2CCN(C)C3)CC1.
What is the InChIKey of ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WZIVJVLOARJEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5.2C2H6/c1-3-17-6-4-11(5-7-17)13-15-14-12-10-16(2)8-9-18(12)13;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 309.50 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-ethylpiperidin-4-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 178033999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).