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

C12H10BrN7S — CID 80887907

IUPAC4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ncccc2Br)nc(-n2cccn2)n1
InChIInChI=1S/C12H10BrN7S/c1-14-10-17-11(20-7-3-6-16-20)19-12(18-10)21-9-8(13)4-2-5-15-9/h2-7H,1H3,(H,14,17,18,19)
InChIKeyJBIQOHVPYXCKDE-UHFFFAOYSA-N
MW364.23 g/mol
LogP2.41
Rot. Bonds4

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

4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80887907) has the molecular formula C12H10BrN7S and a molecular weight of 364.23 g/mol. Its IUPAC name is 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80887907
Molecular FormulaC12H10BrN7S
Molecular Weight364.23 g/mol
Exact Mass362.99
IUPAC Name4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2ncccc2Br)nc(-n2cccn2)n1
InChIInChI=1S/C12H10BrN7S/c1-14-10-17-11(20-7-3-6-16-20)19-12(18-10)21-9-8(13)4-2-5-15-9/h2-7H,1H3,(H,14,17,18,19)
InChIKeyJBIQOHVPYXCKDE-UHFFFAOYSA-N
XLogP2.41
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(3-bromo-2-pyridinyl)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
6-[(3-bromo-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80887782
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
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 114231525
N-ethyl-4-pyrazol-1-yl-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888457
[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80928709
2-methyl-3-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890917
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
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]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80929799

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80887907) is 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CNc1nc(Sc2ncccc2Br)nc(-n2cccn2)n1.
What is the InChIKey of 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is JBIQOHVPYXCKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN7S/c1-14-10-17-11(20-7-3-6-16-20)19-12(18-10)21-9-8(13)4-2-5-15-9/h2-7H,1H3,(H,14,17,18,19).
What are the key properties of 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 364.23 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).