N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide

C11H11N5O4S — CID 135427760

IUPACN'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCc1nnc(SCC(=O)NNC(=O)c2ccco2)[nH]c1=O
InChIInChI=1S/C11H11N5O4S/c1-6-9(18)12-11(16-13-6)21-5-8(17)14-15-10(19)7-3-2-4-20-7/h2-4H,5H2,1H3,(H,14,17)(H,15,19)(H,12,16,18)
InChIKeyRXHWBBWKMLHSGD-UHFFFAOYSA-N
MW309.31 g/mol
LogP-0.38
Rot. Bonds4

About N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide

N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide (PubChem CID 135427760) has the molecular formula C11H11N5O4S and a molecular weight of 309.31 g/mol. Its IUPAC name is N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide
PubChem CID135427760
Molecular FormulaC11H11N5O4S
Molecular Weight309.31 g/mol
Exact Mass309.05
IUPAC NameN'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCc1nnc(SCC(=O)NNC(=O)c2ccco2)[nH]c1=O
InChIInChI=1S/C11H11N5O4S/c1-6-9(18)12-11(16-13-6)21-5-8(17)14-15-10(19)7-3-2-4-20-7/h2-4H,5H2,1H3,(H,14,17)(H,15,19)(H,12,16,18)
InChIKeyRXHWBBWKMLHSGD-UHFFFAOYSA-N
XLogP-0.38
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide (CID 135427760) is N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide is Cc1nnc(SCC(=O)NNC(=O)c2ccco2)[nH]c1=O.
What is the InChIKey of N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
The InChIKey is RXHWBBWKMLHSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4S/c1-6-9(18)12-11(16-13-6)21-5-8(17)14-15-10(19)7-3-2-4-20-7/h2-4H,5H2,1H3,(H,14,17)(H,15,19)(H,12,16,18).
What are the key properties of N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide has a molecular weight of 309.31 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 135427760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).