7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C24H22F3N7 — CID 19744210

About 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 19744210) has the molecular formula C24H22F3N7 and a molecular weight of 465.48 g/mol. Its IUPAC name is 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

• Compound Name: 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
• PubChem CID: 19744210
• Molecular Formula: C24H22F3N7
• Molecular Weight: 465.48 g/mol
• Exact Mass: 465.19
• IUPAC Name: 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
• SMILES: CC1CCc2c(nc(C(F)(F)F)nc2NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1
• InChI: InChI=1S/C24H22F3N7/c1-14-6-11-19-20(12-14)29-23(24(25,26)27)30-21(19)28-13-15-7-9-16(10-8-15)17-4-2-3-5-18(17)22-31-33-34-32-22/h2-5,7-10,14H,6,11-13H2,1H3,(H,28,29,30)(H,31,32,33,34)
• InChIKey: DATLZHNHNQZCIM-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.48
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?

The IUPAC name of 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 19744210) is 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

What is the SMILES notation for 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?

The canonical SMILES for 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CC1CCc2c(nc(C(F)(F)F)nc2NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1.

What is the InChIKey of 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?

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

What are the key properties of 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?

7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 465.48 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 19744210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).