3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C12H22N4O — CID 103028649

IUPAC3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)c1nnc2n1CCNC2C(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)9-10-14-15-11(12(3,4)17-5)16(10)7-6-13-9/h8-9,13H,6-7H2,1-5H3
InChIKeyLUGSNFNTIDXGPM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.46
Rot. Bonds3

About 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103028649) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103028649
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)c1nnc2n1CCNC2C(C)C
InChIInChI=1S/C12H22N4O/c1-8(2)9-10-14-15-11(12(3,4)17-5)16(10)7-6-13-9/h8-9,13H,6-7H2,1-5H3
InChIKeyLUGSNFNTIDXGPM-UHFFFAOYSA-N
XLogP1.46
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103028649) is 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COC(C)(C)c1nnc2n1CCNC2C(C)C.
What is the InChIKey of 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is LUGSNFNTIDXGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)9-10-14-15-11(12(3,4)17-5)16(10)7-6-13-9/h8-9,13H,6-7H2,1-5H3.
What are the key properties of 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 238.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropan-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103028649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).