(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine

C10H9N9S — CID 80925697

IUPAC(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2ncccn2)nc(-n2cccn2)n1
InChIInChI=1S/C10H9N9S/c11-18-7-15-8(19-6-2-5-14-19)17-10(16-7)20-9-12-3-1-4-13-9/h1-6H,11H2,(H,15,16,17,18)
InChIKeyNCIANVBDXMSWJR-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.28
Rot. Bonds4

About (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine

(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80925697) has the molecular formula C10H9N9S and a molecular weight of 287.31 g/mol. Its IUPAC name is (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80925697
Molecular FormulaC10H9N9S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC Name(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2ncccn2)nc(-n2cccn2)n1
InChIInChI=1S/C10H9N9S/c11-18-7-15-8(19-6-2-5-14-19)17-10(16-7)20-9-12-3-1-4-13-9/h1-6H,11H2,(H,15,16,17,18)
InChIKeyNCIANVBDXMSWJR-UHFFFAOYSA-N
XLogP0.28
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80928709
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930407
(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
(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-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propane-1,2-diol
CID 80927322
N-methyl-4-pyrazol-1-yl-6-pyridin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80883568
N-cyclobutyl-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80919597
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887907
N-ethyl-4-pyrazol-1-yl-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888457
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (CID 80925697) is (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is NNc1nc(Sc2ncccn2)nc(-n2cccn2)n1.
What is the InChIKey of (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is NCIANVBDXMSWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N9S/c11-18-7-15-8(19-6-2-5-14-19)17-10(16-7)20-9-12-3-1-4-13-9/h1-6H,11H2,(H,15,16,17,18).
What are the key properties of (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
(4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine has a molecular weight of 287.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-yl-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80925697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).