[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine

C14H19N5OS — CID 80925635

IUPAC[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Sc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)9-5-7-10(8-6-9)21-13-17-11(19-15)16-12(18-13)20-4/h5-8H,15H2,1-4H3,(H,16,17,18,19)
InChIKeyFNJCTTVBHWIVHC-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.61
Rot. Bonds4

About [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine

[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80925635) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80925635
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Sc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)9-5-7-10(8-6-9)21-13-17-11(19-15)16-12(18-13)20-4/h5-8H,15H2,1-4H3,(H,16,17,18,19)
InChIKeyFNJCTTVBHWIVHC-UHFFFAOYSA-N
XLogP2.61
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.61
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-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80926907
N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80921163
4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80931212
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
[4-(4-tert-butylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80925519
[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80923215
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80929135
(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924545
[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80924040
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 80925635) is [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(Sc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is FNJCTTVBHWIVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(2,3)9-5-7-10(8-6-9)21-13-17-11(19-15)16-12(18-13)20-4/h5-8H,15H2,1-4H3,(H,16,17,18,19).
What are the key properties of [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 305.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80925635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).