3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol

C9H13N7O2S — CID 80927322

IUPAC3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
SMILESNNc1nc(SCC(O)CO)nc(-n2cccn2)n1
InChIInChI=1S/C9H13N7O2S/c10-15-7-12-8(16-3-1-2-11-16)14-9(13-7)19-5-6(18)4-17/h1-3,6,17-18H,4-5,10H2,(H,12,13,14,15)
InChIKeyZRYDHPMKNORKHX-UHFFFAOYSA-N
MW283.32 g/mol
LogP-1.21
Rot. Bonds6

About 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol

3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol (PubChem CID 80927322) has the molecular formula C9H13N7O2S and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
PubChem CID80927322
Molecular FormulaC9H13N7O2S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC Name3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
SMILESNNc1nc(SCC(O)CO)nc(-n2cccn2)n1
InChIInChI=1S/C9H13N7O2S/c10-15-7-12-8(16-3-1-2-11-16)14-9(13-7)19-5-6(18)4-17/h1-3,6,17-18H,4-5,10H2,(H,12,13,14,15)
InChIKeyZRYDHPMKNORKHX-UHFFFAOYSA-N
XLogP-1.21
TPSA135.00 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890917
(4-butylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80921572
(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925567
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
3-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80890647
(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925697
N-methyl-4-(2-methylpropylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892844
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
4-(2-methylpropylsulfanyl)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892924
2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80902539
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 114231525
1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80911229

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol?
The IUPAC name of 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol (CID 80927322) is 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol is NNc1nc(SCC(O)CO)nc(-n2cccn2)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol?
The InChIKey is ZRYDHPMKNORKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2S/c10-15-7-12-8(16-3-1-2-11-16)14-9(13-7)19-5-6(18)4-17/h1-3,6,17-18H,4-5,10H2,(H,12,13,14,15).
What are the key properties of 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol?
3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol has a molecular weight of 283.32 g/mol, XLogP of -1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol is sourced from PubChem (CID 80927322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).