3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C16H20N4 — CID 83151447

IUPAC3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(c1nnc2n1CCNC2c1ccccc1)C1CC1
InChIInChI=1S/C16H20N4/c1-11(12-7-8-12)15-18-19-16-14(17-9-10-20(15)16)13-5-3-2-4-6-13/h2-6,11-12,14,17H,7-10H2,1H3
InChIKeyXFHFSKWNUGLMFL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.48
Rot. Bonds3

About 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 83151447) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID83151447
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(c1nnc2n1CCNC2c1ccccc1)C1CC1
InChIInChI=1S/C16H20N4/c1-11(12-7-8-12)15-18-19-16-14(17-9-10-20(15)16)13-5-3-2-4-6-13/h2-6,11-12,14,17H,7-10H2,1H3
InChIKeyXFHFSKWNUGLMFL-UHFFFAOYSA-N
XLogP2.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 83151447) is 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC(c1nnc2n1CCNC2c1ccccc1)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XFHFSKWNUGLMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11(12-7-8-12)15-18-19-16-14(17-9-10-20(15)16)13-5-3-2-4-6-13/h2-6,11-12,14,17H,7-10H2,1H3.
What are the key properties of 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 268.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 83151447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).