ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C26H32N6O2 — CID 143787950

About ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 143787950) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

• Compound Name: ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
• PubChem CID: 143787950
• Molecular Formula: C26H32N6O2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.26
• IUPAC Name: ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
• SMILES: CC.COc1ccc(-c2nccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cc1
• InChI: InChI=1S/C24H26N6O2.C2H6/c1-31-20-8-4-18(5-9-20)23-25-13-12-22-27-24(28-30(22)23)26-19-6-10-21(11-7-19)32-17-16-29-14-2-3-15-29;1-2/h4-13H,2-3,14-17H2,1H3,(H,26,28);1-2H3
• InChIKey: VFMHKZJEBXSWBB-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 76.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?

The IUPAC name of ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 143787950) is ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

What is the SMILES notation for ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?

The canonical SMILES for ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is CC.COc1ccc(-c2nccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cc1.

What is the InChIKey of ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?

The InChIKey is VFMHKZJEBXSWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C2H6/c1-31-20-8-4-18(5-9-20)23-25-13-12-22-27-24(28-30(22)23)26-19-6-10-21(11-7-19)32-17-16-29-14-2-3-15-29;1-2/h4-13H,2-3,14-17H2,1H3,(H,26,28);1-2H3.

What are the key properties of ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?

ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 460.58 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-(4-methoxyphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 143787950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).