N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide

C16H15N5O2 — CID 22160350

IUPACN-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESC=Cc1ccccc1CNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C16H15N5O2/c1-2-11-5-3-4-6-12(11)9-17-14(22)7-13-8-15(23)21-16(20-13)18-10-19-21/h2-6,8,10H,1,7,9H2,(H,17,22)(H,18,19,20)
InChIKeyGDLKZXSGWNNXQV-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.92
Rot. Bonds5

About N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide

N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide (PubChem CID 22160350) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
PubChem CID22160350
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide
SMILESC=Cc1ccccc1CNC(=O)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C16H15N5O2/c1-2-11-5-3-4-6-12(11)9-17-14(22)7-13-8-15(23)21-16(20-13)18-10-19-21/h2-6,8,10H,1,7,9H2,(H,17,22)(H,18,19,20)
InChIKeyGDLKZXSGWNNXQV-UHFFFAOYSA-N
XLogP0.92
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methoxy]phenyl]benzamide
CID 46352559
5-[[4-(methylamino)phenoxy]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61027727
7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 130927911
2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid
CID 59476771
5-[(3-chloro-2-pentan-3-ylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 91062620
5-chloro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 13465971
ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
CID 62026759
5-[[(2,2-dimethyl-1-phenylcyclopropyl)methyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 91830601
N-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926774
ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate
CID 62028716
5-[(7-bromo-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 167925942
5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 79665484

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide (CID 22160350) is N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide is C=Cc1ccccc1CNC(=O)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
The InChIKey is GDLKZXSGWNNXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-11-5-3-4-6-12(11)9-17-14(22)7-13-8-15(23)21-16(20-13)18-10-19-21/h2-6,8,10H,1,7,9H2,(H,17,22)(H,18,19,20).
What are the key properties of N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide?
N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethenylphenyl)methyl]-2-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 22160350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).