2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol

C8H11N7OS — CID 80921833

IUPAC2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
SMILESNNc1nc(SCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C8H11N7OS/c9-14-6-11-7(15-2-1-10-5-15)13-8(12-6)17-4-3-16/h1-2,5,16H,3-4,9H2,(H,11,12,13,14)
InChIKeyYGUKFACRFYYEKH-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.57
Rot. Bonds5

About 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol

2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol (PubChem CID 80921833) has the molecular formula C8H11N7OS and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
PubChem CID80921833
Molecular FormulaC8H11N7OS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
SMILESNNc1nc(SCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C8H11N7OS/c9-14-6-11-7(15-2-1-10-5-15)13-8(12-6)17-4-3-16/h1-2,5,16H,3-4,9H2,(H,11,12,13,14)
InChIKeyYGUKFACRFYYEKH-UHFFFAOYSA-N
XLogP-0.57
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
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 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890922
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
(4-imidazol-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80929083
[4-imidazol-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930718
4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765392
2-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83027475
N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
CID 80890058
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol
CID 106163591
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
4-hydrazinyl-6-imidazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943000
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol (CID 80921833) is 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol is NNc1nc(SCCO)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol?
The InChIKey is YGUKFACRFYYEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7OS/c9-14-6-11-7(15-2-1-10-5-15)13-8(12-6)17-4-3-16/h1-2,5,16H,3-4,9H2,(H,11,12,13,14).
What are the key properties of 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol?
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol has a molecular weight of 253.29 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 80921833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).