2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide

C17H19ClN6O — CID 18112560

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN6O/c1-10-14(11(2)24-17(20-10)21-16(19)22-24)8-15(25)23(3)9-12-5-4-6-13(18)7-12/h4-7H,8-9H2,1-3H3,(H2,19,22)
InChIKeyCGFVOKZHIKTLIF-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.18
Rot. Bonds4

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 18112560) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
PubChem CID18112560
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN6O/c1-10-14(11(2)24-17(20-10)21-16(19)22-24)8-15(25)23(3)9-12-5-4-6-13(18)7-12/h4-7H,8-9H2,1-3H3,(H2,19,22)
InChIKeyCGFVOKZHIKTLIF-UHFFFAOYSA-N
XLogP2.18
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 24544318
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 18112183
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide
CID 18119786
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 55549100
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 18118589
N-benzyl-2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide
CID 50750178
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24544012
6-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736989
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-[4-[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]phenyl]-N,N-dimethylacetamide
CID 55869151
N-(1,3-benzodioxol-5-ylmethyl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylacetamide
CID 16621809

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide (CID 18112560) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is CGFVOKZHIKTLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-10-14(11(2)24-17(20-10)21-16(19)22-24)8-15(25)23(3)9-12-5-4-6-13(18)7-12/h4-7H,8-9H2,1-3H3,(H2,19,22).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 358.83 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 18112560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).