6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine

C18H21N7 — CID 165418876

About 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine

6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine (PubChem CID 165418876) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine
• PubChem CID: 165418876
• Molecular Formula: C18H21N7
• Molecular Weight: 335.42 g/mol
• Exact Mass: 335.19
• IUPAC Name: 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine
• SMILES: C[C@H]1CN(c2cc(N)ncn2)Cc2nnc(CCc3ccccc3)n21
• InChI: InChI=1S/C18H21N7/c1-13-10-24(17-9-15(19)20-12-21-17)11-18-23-22-16(25(13)18)8-7-14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H2,19,20,21)/t13-/m0/s1
• InChIKey: MCDKZUAIWNIEQH-ZDUSSCGKSA-N
• XLogP: 2.02
• TPSA: 85.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.42
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine?

The IUPAC name of 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine (CID 165418876) is 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine.

What is the SMILES notation for 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine?

The canonical SMILES for 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine is C[C@H]1CN(c2cc(N)ncn2)Cc2nnc(CCc3ccccc3)n21.

What is the InChIKey of 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine?

The InChIKey is MCDKZUAIWNIEQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N7/c1-13-10-24(17-9-15(19)20-12-21-17)11-18-23-22-16(25(13)18)8-7-14-5-3-2-4-6-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H2,19,20,21)/t13-/m0/s1.

What are the key properties of 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine?

6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine has a molecular weight of 335.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-4-amine is sourced from PubChem (CID 165418876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).