2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C15H15Cl2N5O — CID 667280

IUPAC2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3c(Cl)cccc3Cl)nc2n1
InChIInChI=1S/C15H15Cl2N5O/c1-2-4-9-7-13(23)22-15(19-9)20-14(21-22)18-8-10-11(16)5-3-6-12(10)17/h3,5-7H,2,4,8H2,1H3,(H2,18,19,20,21)
InChIKeyNRFGVSKDLGBICA-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.29
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 667280) has the molecular formula C15H15Cl2N5O and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID667280
Molecular FormulaC15H15Cl2N5O
Molecular Weight352.23 g/mol
Exact Mass351.07
IUPAC Name2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3c(Cl)cccc3Cl)nc2n1
InChIInChI=1S/C15H15Cl2N5O/c1-2-4-9-7-13(23)22-15(19-9)20-14(21-22)18-8-10-11(16)5-3-6-12(10)17/h3,5-7H,2,4,8H2,1H3,(H2,18,19,20,21)
InChIKeyNRFGVSKDLGBICA-UHFFFAOYSA-N
XLogP3.29
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 667280) is 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(NCc3c(Cl)cccc3Cl)nc2n1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NRFGVSKDLGBICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O/c1-2-4-9-7-13(23)22-15(19-9)20-14(21-22)18-8-10-11(16)5-3-6-12(10)17/h3,5-7H,2,4,8H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 352.23 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 667280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).