4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine

C12H16N6OS — CID 80931212

IUPAC4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Sc2nc(NN)nc(N(C)C)n2)cc1
InChIInChI=1S/C12H16N6OS/c1-18(2)11-14-10(17-13)15-12(16-11)20-9-6-4-8(19-3)5-7-9/h4-7H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyUEKJDHQGCMDSRE-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.38
Rot. Bonds5

About 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine

4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 80931212) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID80931212
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Sc2nc(NN)nc(N(C)C)n2)cc1
InChIInChI=1S/C12H16N6OS/c1-18(2)11-14-10(17-13)15-12(16-11)20-9-6-4-8(19-3)5-7-9/h4-7H,13H2,1-3H3,(H,14,15,16,17)
InChIKeyUEKJDHQGCMDSRE-UHFFFAOYSA-N
XLogP1.38
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.38
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-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510
4-hydrazinyl-N,N-dimethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80923499
4-(2-fluorophenyl)sulfanyl-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80921868
[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925635
4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80929799
(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80926907
4-(1H-benzimidazol-2-ylsulfanyl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80920631
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916652
6-(4-fluorophenyl)sulfanyl-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869964
4-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80921163

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine (CID 80931212) is 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine is COc1ccc(Sc2nc(NN)nc(N(C)C)n2)cc1.
What is the InChIKey of 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is UEKJDHQGCMDSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-18(2)11-14-10(17-13)15-12(16-11)20-9-6-4-8(19-3)5-7-9/h4-7H,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine?
4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 292.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80931212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).