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

C17H19N5O2 — CID 110493327

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NCc2nnc3nc(C)cc(C)n23)c1
InChIInChI=1S/C17H19N5O2/c1-4-24-14-7-5-6-13(9-14)16(23)18-10-15-20-21-17-19-11(2)8-12(3)22(15)17/h5-9H,4,10H2,1-3H3,(H,18,23)
InChIKeyMJJOSECGUWRURX-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.07
Rot. Bonds5

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

N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide (PubChem CID 110493327) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide
PubChem CID110493327
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NCc2nnc3nc(C)cc(C)n23)c1
InChIInChI=1S/C17H19N5O2/c1-4-24-14-7-5-6-13(9-14)16(23)18-10-15-20-21-17-19-11(2)8-12(3)22(15)17/h5-9H,4,10H2,1-3H3,(H,18,23)
InChIKeyMJJOSECGUWRURX-UHFFFAOYSA-N
XLogP2.07
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 110493271
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110504197
(E)-N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 110493317
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 110493267
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
(E)-N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 110493292
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
(E)-3-(2,5-dimethoxyphenyl)-N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]prop-2-enamide
CID 110493323
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid
CID 110495239
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide (CID 110493327) is N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)NCc2nnc3nc(C)cc(C)n23)c1.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide?
The InChIKey is MJJOSECGUWRURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-24-14-7-5-6-13(9-14)16(23)18-10-15-20-21-17-19-11(2)8-12(3)22(15)17/h5-9H,4,10H2,1-3H3,(H,18,23).
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide?
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide has a molecular weight of 325.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide is sourced from PubChem (CID 110493327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).