2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H20N4O2 — CID 112592495

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)(C)OCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-7-6-15-10(16)14-5-4-12-8-9(14)13-15/h12H,4-8H2,1-3H3
InChIKeyCZRLRNQVXAYVJN-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.04
Rot. Bonds3

About 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 112592495) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID112592495
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)(C)OCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C11H20N4O2/c1-11(2,3)17-7-6-15-10(16)14-5-4-12-8-9(14)13-15/h12H,4-8H2,1-3H3
InChIKeyCZRLRNQVXAYVJN-UHFFFAOYSA-N
XLogP-0.04
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 112592495) is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)(C)OCCn1nc2n(c1=O)CCNC2.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is CZRLRNQVXAYVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,3)17-7-6-15-10(16)14-5-4-12-8-9(14)13-15/h12H,4-8H2,1-3H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 240.31 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 112592495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).