6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C24H22F3N7 — CID 10139778

About 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 10139778) has the molecular formula C24H22F3N7 and a molecular weight of 465.48 g/mol. Its IUPAC name is 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• PubChem CID: 10139778
• Molecular Formula: C24H22F3N7
• Molecular Weight: 465.48 g/mol
• Exact Mass: 465.19
• IUPAC Name: 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
• SMILES: Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CN(Cc2ccccc2)CC3)n[nH]1
• InChI: InChI=1S/C24H22F3N7/c1-15-28-23(33-32-15)31-22-18-14-34(13-16-7-3-2-4-8-16)12-11-20(18)29-21(30-22)17-9-5-6-10-19(17)24(25,26)27/h2-10H,11-14H2,1H3,(H2,28,29,30,31,32,33)
• InChIKey: JSTRYCNORHEVEM-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 82.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.48
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The IUPAC name of 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 10139778) is 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

What is the SMILES notation for 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The canonical SMILES for 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1nc(Nc2nc(-c3ccccc3C(F)(F)F)nc3c2CN(Cc2ccccc2)CC3)n[nH]1.

What is the InChIKey of 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

The InChIKey is JSTRYCNORHEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7/c1-15-28-23(33-32-15)31-22-18-14-34(13-16-7-3-2-4-8-16)12-11-20(18)29-21(30-22)17-9-5-6-10-19(17)24(25,26)27/h2-10H,11-14H2,1H3,(H2,28,29,30,31,32,33).

What are the key properties of 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?

6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 465.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10139778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).