[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

C11H21N5OS — CID 107766293

IUPAC[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(SC(C)C(C)C)n1
InChIInChI=1S/C11H21N5OS/c1-5-6-17-10-13-9(16-12)14-11(15-10)18-8(4)7(2)3/h7-8H,5-6,12H2,1-4H3,(H,13,14,15,16)
InChIKeyCRYPNAKUYSIGNO-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.08
Rot. Bonds7

About [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine

[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 107766293) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID107766293
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCCOc1nc(NN)nc(SC(C)C(C)C)n1
InChIInChI=1S/C11H21N5OS/c1-5-6-17-10-13-9(16-12)14-11(15-10)18-8(4)7(2)3/h7-8H,5-6,12H2,1-4H3,(H,13,14,15,16)
InChIKeyCRYPNAKUYSIGNO-UHFFFAOYSA-N
XLogP2.08
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-butan-2-ylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80923930
4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107765495
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911001
[4-(1-methylimidazol-2-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80922420
4-butan-2-ylsulfanyl-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887530
4-hydrazinyl-N-(2-methoxypropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 102701967
[4-propoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydrazine
CID 80923867

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine (CID 107766293) is [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is CCCOc1nc(NN)nc(SC(C)C(C)C)n1.
What is the InChIKey of [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is CRYPNAKUYSIGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-5-6-17-10-13-9(16-12)14-11(15-10)18-8(4)7(2)3/h7-8H,5-6,12H2,1-4H3,(H,13,14,15,16).
What are the key properties of [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 271.39 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 107766293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).