N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide

C15H15N5O2S — CID 135954241

IUPACN-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide
SMILESCNC(=O)CSc1nc2c(-c3ccccc3)c(C)nn2c(=O)[nH]1
InChIInChI=1S/C15H15N5O2S/c1-9-12(10-6-4-3-5-7-10)13-17-14(23-8-11(21)16-2)18-15(22)20(13)19-9/h3-7H,8H2,1-2H3,(H,16,21)(H,17,18,22)
InChIKeyVEFIMUNMELLLSY-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.23
Rot. Bonds4

About N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide

N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide (PubChem CID 135954241) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide
PubChem CID135954241
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide
SMILESCNC(=O)CSc1nc2c(-c3ccccc3)c(C)nn2c(=O)[nH]1
InChIInChI=1S/C15H15N5O2S/c1-9-12(10-6-4-3-5-7-10)13-17-14(23-8-11(21)16-2)18-15(22)20(13)19-9/h3-7H,8H2,1-2H3,(H,16,21)(H,17,18,22)
InChIKeyVEFIMUNMELLLSY-UHFFFAOYSA-N
XLogP1.23
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methyl-3-phenyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875693
2-[(2-{[1-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)thio]acetic acid
CID 2740924
6-[[7-(4-tert-butylphenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanylmethyl]-5-chloro-1H-pyrimidine-2,4-dione
CID 136240259
5-chloro-6-[[7-(4-methylphenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 136241612
2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135590621
N-(4-fluorobenzyl)-2-((7-methyl-4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)thio)acetamide
CID 135954235
5-chloro-6-[[7-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 136224176
5-chloro-6-[(4-oxo-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 136245284
2-((7-methyl-4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 135954238
7-methyl-2,8-diphenyl-1H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 166606433
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-3-sulfanylpropanamide
CID 177681573
5-amino-N,3-dimethyl-4-phenylpyrazole-1-carboxamide
CID 13835009

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide (CID 135954241) is N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide is CNC(=O)CSc1nc2c(-c3ccccc3)c(C)nn2c(=O)[nH]1.
What is the InChIKey of N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide?
The InChIKey is VEFIMUNMELLLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-12(10-6-4-3-5-7-10)13-17-14(23-8-11(21)16-2)18-15(22)20(13)19-9/h3-7H,8H2,1-2H3,(H,16,21)(H,17,18,22).
What are the key properties of N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide?
N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide has a molecular weight of 329.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(7-methyl-4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135954241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).