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

C15H15ClN6O — CID 18191318

IUPACN-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide
SMILESCc1cc(N(C)CC(=O)Nc2ccc(Cl)cc2)n2ncnc2n1
InChIInChI=1S/C15H15ClN6O/c1-10-7-14(22-15(19-10)17-9-18-22)21(2)8-13(23)20-12-5-3-11(16)4-6-12/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyOZDWLNTVIGWUOL-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.16
Rot. Bonds4

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

N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide (PubChem CID 18191318) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide
PubChem CID18191318
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC NameN-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide
SMILESCc1cc(N(C)CC(=O)Nc2ccc(Cl)cc2)n2ncnc2n1
InChIInChI=1S/C15H15ClN6O/c1-10-7-14(22-15(19-10)17-9-18-22)21(2)8-13(23)20-12-5-3-11(16)4-6-12/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyOZDWLNTVIGWUOL-UHFFFAOYSA-N
XLogP2.16
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17393839
methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 62005412
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
N-[(4-chloro-3-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133410799
N-[(2-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191340
methyl 2-[(3,4-difluorophenyl)methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 75444436
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-propan-2-ylamino]acetic acid
CID 55021059
ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133465187
N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 133418014
N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62588189
N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide
CID 18191303
2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 63065023

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide (CID 18191318) is N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide is Cc1cc(N(C)CC(=O)Nc2ccc(Cl)cc2)n2ncnc2n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide?
The InChIKey is OZDWLNTVIGWUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-10-7-14(22-15(19-10)17-9-18-22)21(2)8-13(23)20-12-5-3-11(16)4-6-12/h3-7,9H,8H2,1-2H3,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide?
N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide has a molecular weight of 330.78 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetamide is sourced from PubChem (CID 18191318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).