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

C13H24N4O — CID 103028650

IUPAC3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)Cc1nnc2n1CCNC2C(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)11-12-16-15-10(8-13(3,4)18-5)17(12)7-6-14-11/h9,11,14H,6-8H2,1-5H3
InChIKeyFELDDVQQPRHZBQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds4

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

3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103028650) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103028650
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)Cc1nnc2n1CCNC2C(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)11-12-16-15-10(8-13(3,4)18-5)17(12)7-6-14-11/h9,11,14H,6-8H2,1-5H3
InChIKeyFELDDVQQPRHZBQ-UHFFFAOYSA-N
XLogP1.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103028650) is 3-(2-methoxy-2-methylpropyl)-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-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COC(C)(C)Cc1nnc2n1CCNC2C(C)C.
What is the InChIKey of 3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FELDDVQQPRHZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)11-12-16-15-10(8-13(3,4)18-5)17(12)7-6-14-11/h9,11,14H,6-8H2,1-5H3.
What are the key properties of 3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 252.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-2-methylpropyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103028650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).