3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one

C7H10N8O2S — CID 80929135

IUPAC3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESCOc1nc(NN)nc(Sc2n[nH]c(=O)n2C)n1
InChIInChI=1S/C7H10N8O2S/c1-15-6(16)13-14-7(15)18-5-10-3(12-8)9-4(11-5)17-2/h8H2,1-2H3,(H,13,16)(H,9,10,11,12)
InChIKeyDFGCQNFLOKLTFW-UHFFFAOYSA-N
MW270.28 g/mol
LogP-1.26
Rot. Bonds4

About 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one

3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 80929135) has the molecular formula C7H10N8O2S and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID80929135
Molecular FormulaC7H10N8O2S
Molecular Weight270.28 g/mol
Exact Mass270.06
IUPAC Name3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
SMILESCOc1nc(NN)nc(Sc2n[nH]c(=O)n2C)n1
InChIInChI=1S/C7H10N8O2S/c1-15-6(16)13-14-7(15)18-5-10-3(12-8)9-4(11-5)17-2/h8H2,1-2H3,(H,13,16)(H,9,10,11,12)
InChIKeyDFGCQNFLOKLTFW-UHFFFAOYSA-N
XLogP-1.26
TPSA136.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80928785
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80892017
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80891784
(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80926907
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80892466
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80929228
4-methyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 80882363
3-(4-aminopyrimidin-2-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 116798261
[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925635
N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80921163
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80979774
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80929026

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one (CID 80929135) is 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one is COc1nc(NN)nc(Sc2n[nH]c(=O)n2C)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is DFGCQNFLOKLTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N8O2S/c1-15-6(16)13-14-7(15)18-5-10-3(12-8)9-4(11-5)17-2/h8H2,1-2H3,(H,13,16)(H,9,10,11,12).
What are the key properties of 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one?
3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 270.28 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 80929135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).