[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

C11H13BrN6OS — CID 80928634

IUPAC[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Sc2ncccc2Br)n1
InChIInChI=1S/C11H13BrN6OS/c1-6(2)19-10-15-9(18-13)16-11(17-10)20-8-7(12)4-3-5-14-8/h3-6H,13H2,1-2H3,(H,15,16,17,18)
InChIKeyBOPCIWUCRNWADW-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.25
Rot. Bonds5

About [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80928634) has the molecular formula C11H13BrN6OS and a molecular weight of 357.24 g/mol. Its IUPAC name is [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80928634
Molecular FormulaC11H13BrN6OS
Molecular Weight357.24 g/mol
Exact Mass356.01
IUPAC Name[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Sc2ncccc2Br)n1
InChIInChI=1S/C11H13BrN6OS/c1-6(2)19-10-15-9(18-13)16-11(17-10)20-8-7(12)4-3-5-14-8/h3-6H,13H2,1-2H3,(H,15,16,17,18)
InChIKeyBOPCIWUCRNWADW-UHFFFAOYSA-N
XLogP2.25
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine with MolForge

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Related Compounds

4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80929799
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80872353
N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887629
[4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80923841
4-hydrazinyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943161
(4-tert-butylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80925733
[4-(2,2-difluoroethoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 82010438
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
6-[(3-bromo-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80887782
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80929584
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887907

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (CID 80928634) is [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is CC(C)Oc1nc(NN)nc(Sc2ncccc2Br)n1.
What is the InChIKey of [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is BOPCIWUCRNWADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6OS/c1-6(2)19-10-15-9(18-13)16-11(17-10)20-8-7(12)4-3-5-14-8/h3-6H,13H2,1-2H3,(H,15,16,17,18).
What are the key properties of [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 357.24 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80928634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).