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

C14H14ClN5O — CID 651596

IUPACN-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2n(n1)C(c1ccc(Cl)cc1)C=C(C)N2
InChIInChI=1S/C14H14ClN5O/c1-8-7-12(10-3-5-11(15)6-4-10)20-14(16-8)18-13(19-20)17-9(2)21/h3-7,12H,1-2H3,(H2,16,17,18,19,21)
InChIKeyUAPDELYIMLZCAF-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.81
Rot. Bonds2

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

N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 651596) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID651596
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC NameN-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc2n(n1)C(c1ccc(Cl)cc1)C=C(C)N2
InChIInChI=1S/C14H14ClN5O/c1-8-7-12(10-3-5-11(15)6-4-10)20-14(16-8)18-13(19-20)17-9(2)21/h3-7,12H,1-2H3,(H2,16,17,18,19,21)
InChIKeyUAPDELYIMLZCAF-UHFFFAOYSA-N
XLogP2.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 651596) is N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is CC(=O)Nc1nc2n(n1)C(c1ccc(Cl)cc1)C=C(C)N2.
What is the InChIKey of N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is UAPDELYIMLZCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-8-7-12(10-3-5-11(15)6-4-10)20-14(16-8)18-13(19-20)17-9(2)21/h3-7,12H,1-2H3,(H2,16,17,18,19,21).
What are the key properties of N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide?
N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 303.75 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 651596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).