2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide

C11H13N5O4S — CID 107782939

IUPAC2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCc1oc(CSc2nc(=O)c(=O)[nH]n2C)cc1C(=O)NN
InChIInChI=1S/C11H13N5O4S/c1-5-7(8(17)14-12)3-6(20-5)4-21-11-13-9(18)10(19)15-16(11)2/h3H,4,12H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyCZOGLRFLKODFLG-UHFFFAOYSA-N
MW311.32 g/mol
LogP-0.73
Rot. Bonds4

About 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide

2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 107782939) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID107782939
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCc1oc(CSc2nc(=O)c(=O)[nH]n2C)cc1C(=O)NN
InChIInChI=1S/C11H13N5O4S/c1-5-7(8(17)14-12)3-6(20-5)4-21-11-13-9(18)10(19)15-16(11)2/h3H,4,12H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyCZOGLRFLKODFLG-UHFFFAOYSA-N
XLogP-0.73
TPSA136.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide (CID 107782939) is 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide is Cc1oc(CSc2nc(=O)c(=O)[nH]n2C)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is CZOGLRFLKODFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-5-7(8(17)14-12)3-6(20-5)4-21-11-13-9(18)10(19)15-16(11)2/h3H,4,12H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide?
2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 311.32 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 107782939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).