N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H16F3N7 — CID 133286685

About N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133286685) has the molecular formula C17H16F3N7 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 133286685
• Molecular Formula: C17H16F3N7
• Molecular Weight: 375.36 g/mol
• Exact Mass: 375.14
• IUPAC Name: N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: CCC(Nc1cc(C)nc2nc(C(F)(F)F)nn12)c1nc2ccccc2[nH]1
• InChI: InChI=1S/C17H16F3N7/c1-3-10(14-23-11-6-4-5-7-12(11)24-14)22-13-8-9(2)21-16-25-15(17(18,19)20)26-27(13)16/h4-8,10,22H,3H2,1-2H3,(H,23,24)
• InChIKey: XKZIJDATXAFHCD-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.36
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133286685) is N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCC(Nc1cc(C)nc2nc(C(F)(F)F)nn12)c1nc2ccccc2[nH]1.

What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is XKZIJDATXAFHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7/c1-3-10(14-23-11-6-4-5-7-12(11)24-14)22-13-8-9(2)21-16-25-15(17(18,19)20)26-27(13)16/h4-8,10,22H,3H2,1-2H3,(H,23,24).

What are the key properties of N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?

N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 375.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1H-benzimidazol-2-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133286685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).