2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H18N4O2 — CID 66273411

IUPAC2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)OCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C10H18N4O2/c1-8(2)16-6-5-14-10(15)13-4-3-11-7-9(13)12-14/h8,11H,3-7H2,1-2H3
InChIKeyBQVMPYOCUUUDIE-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.43
Rot. Bonds4

About 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66273411) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66273411
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)OCCn1nc2n(c1=O)CCNC2
InChIInChI=1S/C10H18N4O2/c1-8(2)16-6-5-14-10(15)13-4-3-11-7-9(13)12-14/h8,11H,3-7H2,1-2H3
InChIKeyBQVMPYOCUUUDIE-UHFFFAOYSA-N
XLogP-0.43
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66273411) is 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)OCCn1nc2n(c1=O)CCNC2.
What is the InChIKey of 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is BQVMPYOCUUUDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(2)16-6-5-14-10(15)13-4-3-11-7-9(13)12-14/h8,11H,3-7H2,1-2H3.
What are the key properties of 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 226.28 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66273411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).