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

C15H13Cl2N5O — CID 53389902

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

2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 53389902) has the molecular formula C15H13Cl2N5O and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 53389902
• Molecular Formula: C15H13Cl2N5O
• Molecular Weight: 350.21 g/mol
• Exact Mass: 349.05
• IUPAC Name: 2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
• SMILES: Nc1nc2nc(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2[nH]1
• InChI: InChI=1S/C15H13Cl2N5O/c16-10-4-1-7(6-11(10)17)5-9-12(8-2-3-8)19-15-20-14(18)21-22(15)13(9)23/h1,4,6,8H,2-3,5H2,(H3,18,19,20,21)
• InChIKey: BXZCHELXYNXCDS-UHFFFAOYSA-N
• XLogP: 2.77
• 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	350.21
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 53389902) is 2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

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

The canonical SMILES for 2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Nc1nc2nc(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2[nH]1.

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

The InChIKey is BXZCHELXYNXCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5O/c16-10-4-1-7(6-11(10)17)5-9-12(8-2-3-8)19-15-20-14(18)21-22(15)13(9)23/h1,4,6,8H,2-3,5H2,(H3,18,19,20,21).

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

2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 350.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53389902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).