5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide

C9H15N5O3S — CID 107782919

IUPAC5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide
SMILESCn1[nH]c(=O)c(=O)nc1SCCCCC(=O)NN
InChIInChI=1S/C9H15N5O3S/c1-14-9(11-7(16)8(17)13-14)18-5-3-2-4-6(15)12-10/h2-5,10H2,1H3,(H,12,15)(H,13,17)
InChIKeyQBZIQMXMJBLCTG-UHFFFAOYSA-N
MW273.32 g/mol
LogP-1.28
Rot. Bonds6

About 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide

5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide (PubChem CID 107782919) has the molecular formula C9H15N5O3S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide.

Molecular Properties

Compound Name5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide
PubChem CID107782919
Molecular FormulaC9H15N5O3S
Molecular Weight273.32 g/mol
Exact Mass273.09
IUPAC Name5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide
SMILESCn1[nH]c(=O)c(=O)nc1SCCCCC(=O)NN
InChIInChI=1S/C9H15N5O3S/c1-14-9(11-7(16)8(17)13-14)18-5-3-2-4-6(15)12-10/h2-5,10H2,1H3,(H,12,15)(H,13,17)
InChIKeyQBZIQMXMJBLCTG-UHFFFAOYSA-N
XLogP-1.28
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 107782914
CID 107782914
CID 107782915
CID 107782915
CID 107782916
CID 107782916
CID 107782921
CID 107782921
CID 107782924
CID 107782924
CID 107782925
CID 107782925
CID 107782929
CID 107782929
CID 107782930
CID 107782930
CID 107782934
CID 107782934
CID 107782945
CID 107782945
CID 107784559
CID 107784559
CID 107786075
CID 107786075

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide?
The IUPAC name of 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide (CID 107782919) is 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide.
What is the SMILES notation for 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide?
The canonical SMILES for 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide is Cn1[nH]c(=O)c(=O)nc1SCCCCC(=O)NN.
What is the InChIKey of 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide?
The InChIKey is QBZIQMXMJBLCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S/c1-14-9(11-7(16)8(17)13-14)18-5-3-2-4-6(15)12-10/h2-5,10H2,1H3,(H,12,15)(H,13,17).
What are the key properties of 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide?
5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide has a molecular weight of 273.32 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pentanehydrazide is sourced from PubChem (CID 107782919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).