N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine

C12H11N7S — CID 80883568

IUPACN-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ccccn2)nc(-n2cccn2)n1
InChIInChI=1S/C12H11N7S/c1-13-10-16-11(19-8-4-7-15-19)18-12(17-10)20-9-5-2-3-6-14-9/h2-8H,1H3,(H,13,16,17,18)
InChIKeyXYZLZQWLQTZLRC-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.65
Rot. Bonds4

About N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine

N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80883568) has the molecular formula C12H11N7S and a molecular weight of 285.34 g/mol. Its IUPAC name is N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80883568
Molecular FormulaC12H11N7S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC NameN-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ccccn2)nc(-n2cccn2)n1
InChIInChI=1S/C12H11N7S/c1-13-10-16-11(19-8-4-7-15-19)18-12(17-10)20-9-5-2-3-6-14-9/h2-8H,1H3,(H,13,16,17,18)
InChIKeyXYZLZQWLQTZLRC-UHFFFAOYSA-N
XLogP1.65
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-methyl-4-pyridin-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80882673
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887907
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106928718
(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925697
N-methyl-4-(2-methylpropylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892844
[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80928709
2-N,2-N-diethyl-4-N-methyl-6-pyridin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80882962
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
N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 103132169
4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107361056
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine (CID 80883568) is N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine is CNc1nc(Sc2ccccn2)nc(-n2cccn2)n1.
What is the InChIKey of N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is XYZLZQWLQTZLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7S/c1-13-10-16-11(19-8-4-7-15-19)18-12(17-10)20-9-5-2-3-6-14-9/h2-8H,1H3,(H,13,16,17,18).
What are the key properties of N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine?
N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 285.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).