ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C10H20N4 — CID 156843139

IUPACethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC.CCCN1CCn2ncnc2C1
InChIInChI=1S/C8H14N4.C2H6/c1-2-3-11-4-5-12-8(6-11)9-7-10-12;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyWBJLBXFOBUCABK-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.53
Rot. Bonds2

About ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 156843139) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Nameethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID156843139
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Nameethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC.CCCN1CCn2ncnc2C1
InChIInChI=1S/C8H14N4.C2H6/c1-2-3-11-4-5-12-8(6-11)9-7-10-12;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyWBJLBXFOBUCABK-UHFFFAOYSA-N
XLogP1.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 156843139) is ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CC.CCCN1CCn2ncnc2C1.
What is the InChIKey of ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is WBJLBXFOBUCABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.C2H6/c1-2-3-11-4-5-12-8(6-11)9-7-10-12;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 196.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 156843139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).