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

C13H22N4O — CID 103028651

IUPAC8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)Cc1nnc2n1CCNC2C1CC1
InChIInChI=1S/C13H22N4O/c1-13(2,18-3)8-10-15-16-12-11(9-4-5-9)14-6-7-17(10)12/h9,11,14H,4-8H2,1-3H3
InChIKeyVNSSFAGGQXEURC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.30
Rot. Bonds4

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

8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 103028651) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID103028651
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)(C)Cc1nnc2n1CCNC2C1CC1
InChIInChI=1S/C13H22N4O/c1-13(2,18-3)8-10-15-16-12-11(9-4-5-9)14-6-7-17(10)12/h9,11,14H,4-8H2,1-3H3
InChIKeyVNSSFAGGQXEURC-UHFFFAOYSA-N
XLogP1.30
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 103028651) is 8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COC(C)(C)Cc1nnc2n1CCNC2C1CC1.
What is the InChIKey of 8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VNSSFAGGQXEURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,18-3)8-10-15-16-12-11(9-4-5-9)14-6-7-17(10)12/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 250.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 103028651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).