N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

C19H15Cl2N5O — CID 135970570

IUPACN-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2n(n1)C(c1ccccc1Cl)C=C(c1ccc(Cl)cc1)N2
InChIInChI=1S/C19H15Cl2N5O/c1-11(27)22-18-24-19-23-16(12-6-8-13(20)9-7-12)10-17(26(19)25-18)14-4-2-3-5-15(14)21/h2-10,17H,1H3,(H2,22,23,24,25,27)
InChIKeyPBFKVDBAURRCMK-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.60
Rot. Bonds3

About N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide

N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 135970570) has the molecular formula C19H15Cl2N5O and a molecular weight of 400.27 g/mol. Its IUPAC name is N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID135970570
Molecular FormulaC19H15Cl2N5O
Molecular Weight400.27 g/mol
Exact Mass399.07
IUPAC NameN-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2n(n1)C(c1ccccc1Cl)C=C(c1ccc(Cl)cc1)N2
InChIInChI=1S/C19H15Cl2N5O/c1-11(27)22-18-24-19-23-16(12-6-8-13(20)9-7-12)10-17(26(19)25-18)14-4-2-3-5-15(14)21/h2-10,17H,1H3,(H2,22,23,24,25,27)
InChIKeyPBFKVDBAURRCMK-UHFFFAOYSA-N
XLogP4.60
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 135970570) is N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc2n(n1)C(c1ccccc1Cl)C=C(c1ccc(Cl)cc1)N2.
What is the InChIKey of N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is PBFKVDBAURRCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O/c1-11(27)22-18-24-19-23-16(12-6-8-13(20)9-7-12)10-17(26(19)25-18)14-4-2-3-5-15(14)21/h2-10,17H,1H3,(H2,22,23,24,25,27).
What are the key properties of N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 400.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 135970570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).