2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H15Cl2N5O — CID 155554273

About 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 155554273) has the molecular formula C15H15Cl2N5O and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 155554273
• Molecular Formula: C15H15Cl2N5O
• Molecular Weight: 352.23 g/mol
• Exact Mass: 351.07
• IUPAC Name: 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• SMILES: CC(C)c1nc2nc(N)[nH]n2c(=O)c1Cc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(5-8-3-4-10(16)11(17)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21)
• InChIKey: FVNQVTADUDKSGZ-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 89.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.23
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 155554273) is 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1nc2nc(N)[nH]n2c(=O)c1Cc1ccc(Cl)c(Cl)c1.

What is the InChIKey of 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

The InChIKey is FVNQVTADUDKSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O/c1-7(2)12-9(5-8-3-4-10(16)11(17)6-8)13(23)22-15(19-12)20-14(18)21-22/h3-4,6-7H,5H2,1-2H3,(H3,18,19,20,21).

What are the key properties of 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?

2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 352.23 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[(3,4-dichlorophenyl)methyl]-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155554273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).