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

C10H9N9S — CID 80929083

IUPAC(4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2ccncn2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H9N9S/c11-18-8-15-9(19-4-3-13-6-19)17-10(16-8)20-7-1-2-12-5-14-7/h1-6H,11H2,(H,15,16,17,18)
InChIKeySOCMDRMSULWQAN-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.28
Rot. Bonds4

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

(4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (PubChem CID 80929083) has the molecular formula C10H9N9S and a molecular weight of 287.31 g/mol. Its IUPAC name is (4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
PubChem CID80929083
Molecular FormulaC10H9N9S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC Name(4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
SMILESNNc1nc(Sc2ccncn2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H9N9S/c11-18-8-15-9(19-4-3-13-6-19)17-10(16-8)20-7-1-2-12-5-14-7/h1-6H,11H2,(H,15,16,17,18)
InChIKeySOCMDRMSULWQAN-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-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80928949
[4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930718
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80921833
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
4-hydrazinyl-6-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,5-triazin-2-amine
CID 106412483
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
(4-imidazol-1-yl-6-phenylmethoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906719
4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80914496
4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 107784987
4-hydrazinyl-6-imidazol-1-yl-N-(2-methylphenyl)-1,3,5-triazin-2-amine
CID 80912665

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The IUPAC name of (4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine (CID 80929083) is (4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine.
What is the SMILES notation for (4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The canonical SMILES for (4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is NNc1nc(Sc2ccncn2)nc(-n2ccnc2)n1.
What is the InChIKey of (4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
The InChIKey is SOCMDRMSULWQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N9S/c11-18-8-15-9(19-4-3-13-6-19)17-10(16-8)20-7-1-2-12-5-14-7/h1-6H,11H2,(H,15,16,17,18).
What are the key properties of (4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine?
(4-imidazol-1-yl-6-pyrimidin-4-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-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine is sourced from PubChem (CID 80929083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).