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

C10H15N7OS — CID 80923841

IUPAC[4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Sc2cnn(C)c2)n1
InChIInChI=1S/C10H15N7OS/c1-6(2)18-9-13-8(16-11)14-10(15-9)19-7-4-12-17(3)5-7/h4-6H,11H2,1-3H3,(H,13,14,15,16)
InChIKeyXCWKSVOHFNBJBQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.83
Rot. Bonds5

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

[4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80923841) has the molecular formula C10H15N7OS and a molecular weight of 281.35 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80923841
Molecular FormulaC10H15N7OS
Molecular Weight281.35 g/mol
Exact Mass281.11
IUPAC Name[4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Sc2cnn(C)c2)n1
InChIInChI=1S/C10H15N7OS/c1-6(2)18-9-13-8(16-11)14-10(15-9)19-7-4-12-17(3)5-7/h4-6H,11H2,1-3H3,(H,13,14,15,16)
InChIKeyXCWKSVOHFNBJBQ-UHFFFAOYSA-N
XLogP0.83
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Related Compounds

(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
4-hydrazinyl-N,N-dimethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80923499
4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80892258
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
(4-tert-butylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80925733
[4-(4-methylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80901681
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133
[4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336586
[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 116806768
4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80902877
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80882617

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (CID 80923841) is [4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is CC(C)Oc1nc(NN)nc(Sc2cnn(C)c2)n1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is XCWKSVOHFNBJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7OS/c1-6(2)18-9-13-8(16-11)14-10(15-9)19-7-4-12-17(3)5-7/h4-6H,11H2,1-3H3,(H,13,14,15,16).
What are the key properties of [4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
[4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 281.35 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80923841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).