3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one

C9H13N7OS — CID 80929311

IUPAC3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)n1c(Sc2cncc(NN)n2)n[nH]c1=O
InChIInChI=1S/C9H13N7OS/c1-5(2)16-8(17)14-15-9(16)18-7-4-11-3-6(12-7)13-10/h3-5H,10H2,1-2H3,(H,12,13)(H,14,17)
InChIKeyVORRSHZZEVZGFD-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.38
Rot. Bonds4

About 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one

3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 80929311) has the molecular formula C9H13N7OS and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
PubChem CID80929311
Molecular FormulaC9H13N7OS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)n1c(Sc2cncc(NN)n2)n[nH]c1=O
InChIInChI=1S/C9H13N7OS/c1-5(2)16-8(17)14-15-9(16)18-7-4-11-3-6(12-7)13-10/h3-5H,10H2,1-2H3,(H,12,13)(H,14,17)
InChIKeyVORRSHZZEVZGFD-UHFFFAOYSA-N
XLogP0.38
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
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 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80963523
3-(2-amino-6-chloropyrimidin-4-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80735091
3-(6-fluoropyrimidin-4-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 115417363
3-[(5-amino-1,3-thiazol-2-yl)sulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 102770302
3-amino-6-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonitrile
CID 103470920
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80928785
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80979774
3-(5-aminoisoquinolin-8-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 103141040
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80892157
3-[(6-hydrazinyl-2-pyridinyl)sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 80928895
3-(3-aminobutan-2-ylsulfanyl)-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 64632154
4-propan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)sulfanyl]-1H-1,2,4-triazol-5-one
CID 102752353

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one (CID 80929311) is 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one is CC(C)n1c(Sc2cncc(NN)n2)n[nH]c1=O.
What is the InChIKey of 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is VORRSHZZEVZGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7OS/c1-5(2)16-8(17)14-15-9(16)18-7-4-11-3-6(12-7)13-10/h3-5H,10H2,1-2H3,(H,12,13)(H,14,17).
What are the key properties of 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 267.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydrazinylpyrazin-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 80929311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).