2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide

C9H11N7OS — CID 114231525

IUPAC2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCNc1nc(SCC(N)=O)nc(-n2cccn2)n1
InChIInChI=1S/C9H11N7OS/c1-11-7-13-8(16-4-2-3-12-16)15-9(14-7)18-5-6(10)17/h2-4H,5H2,1H3,(H2,10,17)(H,11,13,14,15)
InChIKeyWUFDUVYIXCCBMU-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.32
Rot. Bonds5

About 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide

2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (PubChem CID 114231525) has the molecular formula C9H11N7OS and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
PubChem CID114231525
Molecular FormulaC9H11N7OS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
SMILESCNc1nc(SCC(N)=O)nc(-n2cccn2)n1
InChIInChI=1S/C9H11N7OS/c1-11-7-13-8(16-4-2-3-12-16)15-9(14-7)18-5-6(10)17/h2-4H,5H2,1H3,(H2,10,17)(H,11,13,14,15)
InChIKeyWUFDUVYIXCCBMU-UHFFFAOYSA-N
XLogP-0.32
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-(2-methylpropylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892844
2-methyl-3-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890917
methyl 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80873622
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80772086
methyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
CID 80777731
ethyl 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetate
CID 80789345
(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80921572
N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80883568
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106928718
3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
CID 80927322
2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol
CID 80884988
methyl 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoate
CID 80886072

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide (CID 114231525) is 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is CNc1nc(SCC(N)=O)nc(-n2cccn2)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
The InChIKey is WUFDUVYIXCCBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7OS/c1-11-7-13-8(16-4-2-3-12-16)15-9(14-7)18-5-6(10)17/h2-4H,5H2,1H3,(H2,10,17)(H,11,13,14,15).
What are the key properties of 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide?
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide has a molecular weight of 265.30 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 114231525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).