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

C16H16ClN5O — CID 3390597

IUPACN-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCc3ccccc3Cl)nc2n1
InChIInChI=1S/C16H16ClN5O/c1-10-7-11(2)22-16(19-10)20-14(21-22)8-15(23)18-9-12-5-3-4-6-13(12)17/h3-7H,8-9H2,1-2H3,(H,18,23)
InChIKeyADYGQZABBNLBKV-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.25
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 3390597) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID3390597
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCc3ccccc3Cl)nc2n1
InChIInChI=1S/C16H16ClN5O/c1-10-7-11(2)22-16(19-10)20-14(21-22)8-15(23)18-9-12-5-3-4-6-13(12)17/h3-7H,8-9H2,1-2H3,(H,18,23)
InChIKeyADYGQZABBNLBKV-UHFFFAOYSA-N
XLogP2.25
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]urea
CID 6625488
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825
N-[4-(2-chlorophenoxy)phenyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38808612
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 50950633
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110851373
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
CID 125172240
(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693192
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 46492599
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 119068950
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone
CID 120739824
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 166416441

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 3390597) is N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is Cc1cc(C)n2nc(CC(=O)NCc3ccccc3Cl)nc2n1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is ADYGQZABBNLBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-10-7-11(2)22-16(19-10)20-14(21-22)8-15(23)18-9-12-5-3-4-6-13(12)17/h3-7H,8-9H2,1-2H3,(H,18,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 329.79 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 3390597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).