2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

C16H18N6O — CID 78887770

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)N(C)Cc3cccnc3)nc2n1
InChIInChI=1S/C16H18N6O/c1-11-7-12(2)22-16(18-11)19-14(20-22)8-15(23)21(3)10-13-5-4-6-17-9-13/h4-7,9H,8,10H2,1-3H3
InChIKeyCEYGJWOXZQKABY-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.34
Rot. Bonds4

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 78887770) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID78887770
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)N(C)Cc3cccnc3)nc2n1
InChIInChI=1S/C16H18N6O/c1-11-7-12(2)22-16(18-11)19-14(20-22)8-15(23)21(3)10-13-5-4-6-17-9-13/h4-7,9H,8,10H2,1-3H3
InChIKeyCEYGJWOXZQKABY-UHFFFAOYSA-N
XLogP1.34
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
N-(2-adamantyl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methylacetamide
CID 86998284
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 95322433
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 86980548
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78770799
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
N,5,7-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26786460

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 78887770) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(C)n2nc(CC(=O)N(C)Cc3cccnc3)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is CEYGJWOXZQKABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-11-7-12(2)22-16(18-11)19-14(20-22)8-15(23)21(3)10-13-5-4-6-17-9-13/h4-7,9H,8,10H2,1-3H3.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 78887770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).