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

C10H18N4O — CID 112603909

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)OCc1nnc2n1CCNC2
InChIInChI=1S/C10H18N4O/c1-10(2,3)15-7-9-13-12-8-6-11-4-5-14(8)9/h11H,4-7H2,1-3H3
InChIKeyVRZWYRVENXQNFE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.70
Rot. Bonds2

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

3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 112603909) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID112603909
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)(C)OCc1nnc2n1CCNC2
InChIInChI=1S/C10H18N4O/c1-10(2,3)15-7-9-13-12-8-6-11-4-5-14(8)9/h11H,4-7H2,1-3H3
InChIKeyVRZWYRVENXQNFE-UHFFFAOYSA-N
XLogP0.70
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 112603909) is 3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)(C)OCc1nnc2n1CCNC2.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VRZWYRVENXQNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,3)15-7-9-13-12-8-6-11-4-5-14(8)9/h11H,4-7H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 210.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 112603909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).