[4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

C11H17N9S — CID 80906283

IUPAC[4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC1CN(c2nc(NN)nc(-n3cncn3)n2)CC(C)S1
InChIInChI=1S/C11H17N9S/c1-7-3-19(4-8(2)21-7)10-15-9(18-12)16-11(17-10)20-6-13-5-14-20/h5-8H,3-4,12H2,1-2H3,(H,15,16,17,18)
InChIKeyYDJKRXIFTKEJBN-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.07
Rot. Bonds3

About [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

[4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80906283) has the molecular formula C11H17N9S and a molecular weight of 307.39 g/mol. Its IUPAC name is [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80906283
Molecular FormulaC11H17N9S
Molecular Weight307.39 g/mol
Exact Mass307.13
IUPAC Name[4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC1CN(c2nc(NN)nc(-n3cncn3)n2)CC(C)S1
InChIInChI=1S/C11H17N9S/c1-7-3-19(4-8(2)21-7)10-15-9(18-12)16-11(17-10)20-6-13-5-14-20/h5-8H,3-4,12H2,1-2H3,(H,15,16,17,18)
InChIKeyYDJKRXIFTKEJBN-UHFFFAOYSA-N
XLogP0.07
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.07
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-(3,5-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80912010
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80925470
[4-piperazin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80918042
4-(2,6-dimethylmorpholin-4-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80749453
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912272
N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885
[4-(4,5-dimethylimidazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80900370
N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80906636
N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80894340
2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80826675
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80831390
[4-cyclohexyloxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80909888

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 80906283) is [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is CC1CN(c2nc(NN)nc(-n3cncn3)n2)CC(C)S1.
What is the InChIKey of [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is YDJKRXIFTKEJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9S/c1-7-3-19(4-8(2)21-7)10-15-9(18-12)16-11(17-10)20-6-13-5-14-20/h5-8H,3-4,12H2,1-2H3,(H,15,16,17,18).
What are the key properties of [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 307.39 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylthiomorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80906283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).