[2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine

C10H15N7OS — CID 113401999

IUPAC[2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(Sc2nncn2C)n1
InChIInChI=1S/C10H15N7OS/c1-3-18-5-8-13-7(15-11)4-9(14-8)19-10-16-12-6-17(10)2/h4,6H,3,5,11H2,1-2H3,(H,13,14,15)
InChIKeyQUOUSQSNBNXCID-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.58
Rot. Bonds6

About [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine

[2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine (PubChem CID 113401999) has the molecular formula C10H15N7OS and a molecular weight of 281.34 g/mol. Its IUPAC name is [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
PubChem CID113401999
Molecular FormulaC10H15N7OS
Molecular Weight281.34 g/mol
Exact Mass281.11
IUPAC Name[2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCCOCc1nc(NN)cc(Sc2nncn2C)n1
InChIInChI=1S/C10H15N7OS/c1-3-18-5-8-13-7(15-11)4-9(14-8)19-10-16-12-6-17(10)2/h4,6H,3,5,11H2,1-2H3,(H,13,14,15)
InChIKeyQUOUSQSNBNXCID-UHFFFAOYSA-N
XLogP0.58
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

2-ethyl-N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 80937646
[2-(ethoxymethyl)-6-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 106928791
[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721368
methyl 3-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]sulfanylpropanoate
CID 113402006
[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine
CID 113401955
4-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882973
2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 113401725
3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 114143246
2-(ethoxymethyl)-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026088
4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione
CID 113401894
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
(2-propyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80947503

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine (CID 113401999) is [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine is CCOCc1nc(NN)cc(Sc2nncn2C)n1.
What is the InChIKey of [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The InChIKey is QUOUSQSNBNXCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7OS/c1-3-18-5-8-13-7(15-11)4-9(14-8)19-10-16-12-6-17(10)2/h4,6H,3,5,11H2,1-2H3,(H,13,14,15).
What are the key properties of [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
[2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine has a molecular weight of 281.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 113401999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).