4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H13N7OS — CID 106928718

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2nc(C)c(C)o2)nc(-n2cccn2)n1
InChIInChI=1S/C12H13N7OS/c1-7-8(2)20-12(15-7)21-11-17-9(13-3)16-10(18-11)19-6-4-5-14-19/h4-6H,1-3H3,(H,13,16,17,18)
InChIKeyFPWNLRFPLNEHPE-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.86
Rot. Bonds4

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 106928718) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID106928718
Molecular FormulaC12H13N7OS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2nc(C)c(C)o2)nc(-n2cccn2)n1
InChIInChI=1S/C12H13N7OS/c1-7-8(2)20-12(15-7)21-11-17-9(13-3)16-10(18-11)19-6-4-5-14-19/h4-6H,1-3H3,(H,13,16,17,18)
InChIKeyFPWNLRFPLNEHPE-UHFFFAOYSA-N
XLogP1.86
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80883568
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887907
N-methyl-4-(2-methylpropylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892844
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 114231525
2-methyl-3-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890917
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925697
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930407
4-N-methyl-6-pyrazol-1-yl-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106434069
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853145
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779408

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 106928718) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CNc1nc(Sc2nc(C)c(C)o2)nc(-n2cccn2)n1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is FPWNLRFPLNEHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7OS/c1-7-8(2)20-12(15-7)21-11-17-9(13-3)16-10(18-11)19-6-4-5-14-19/h4-6H,1-3H3,(H,13,16,17,18).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 303.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106928718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).