(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine

C9H10N6OS — CID 80926907

IUPAC(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESCOc1nc(NN)nc(Sc2ccncc2)n1
InChIInChI=1S/C9H10N6OS/c1-16-8-12-7(15-10)13-9(14-8)17-6-2-4-11-5-3-6/h2-5H,10H2,1H3,(H,12,13,14,15)
InChIKeyKBVZCOVYWGFDAE-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.71
Rot. Bonds4

About (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine

(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80926907) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80926907
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESCOc1nc(NN)nc(Sc2ccncc2)n1
InChIInChI=1S/C9H10N6OS/c1-16-8-12-7(15-10)13-9(14-8)17-6-2-4-11-5-3-6/h2-5H,10H2,1H3,(H,12,13,14,15)
InChIKeyKBVZCOVYWGFDAE-UHFFFAOYSA-N
XLogP0.71
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.71
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'}

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Related Compounds

[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925635
N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80921163
[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80923215
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80931212
3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80929135
(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924545
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
[4-(2,2-difluoroethoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 82010197
[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80917593
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (CID 80926907) is (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is COc1nc(NN)nc(Sc2ccncc2)n1.
What is the InChIKey of (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is KBVZCOVYWGFDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c1-16-8-12-7(15-10)13-9(14-8)17-6-2-4-11-5-3-6/h2-5H,10H2,1H3,(H,12,13,14,15).
What are the key properties of (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 250.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80926907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).