(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine

C12H15N5OS — CID 80923978

IUPAC(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
SMILESCC(C)Oc1nc(NN)nc(Sc2ccccc2)n1
InChIInChI=1S/C12H15N5OS/c1-8(2)18-11-14-10(17-13)15-12(16-11)19-9-6-4-3-5-7-9/h3-8H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyLQMUYLMZWJGGJY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.10
Rot. Bonds5

About (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine

(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80923978) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
PubChem CID80923978
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
SMILESCC(C)Oc1nc(NN)nc(Sc2ccccc2)n1
InChIInChI=1S/C12H15N5OS/c1-8(2)18-11-14-10(17-13)15-12(16-11)19-9-6-4-3-5-7-9/h3-8H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyLQMUYLMZWJGGJY-UHFFFAOYSA-N
XLogP2.10
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80923841
[4-[(3-bromo-2-pyridinyl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80928634
(4-tert-butylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80925733
4-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510
N-ethyl-4-(3-methylphenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883594
4-(3-chlorophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883029
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133
(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80926907
[4-(2,2-difluoroethoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 82010438
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
4-hydrazinyl-N-[(2-methylphenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80898763
4-hydrazinyl-6-propan-2-yloxy-N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 80943161

Frequently Asked Questions

What is the IUPAC name of (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine (CID 80923978) is (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine is CC(C)Oc1nc(NN)nc(Sc2ccccc2)n1.
What is the InChIKey of (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is LQMUYLMZWJGGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8(2)18-11-14-10(17-13)15-12(16-11)19-9-6-4-3-5-7-9/h3-8H,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine?
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 277.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80923978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).