N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide

C11H14N6O3S — CID 1452258

IUPACN'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCCn1nnnc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C11H14N6O3S/c1-2-5-17-11(14-15-16-17)21-7-9(18)12-13-10(19)8-4-3-6-20-8/h3-4,6H,2,5,7H2,1H3,(H,12,18)(H,13,19)
InChIKeyWUYCEPIQDRIMRU-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.23
Rot. Bonds6

About N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide

N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 1452258) has the molecular formula C11H14N6O3S and a molecular weight of 310.34 g/mol. Its IUPAC name is N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID1452258
Molecular FormulaC11H14N6O3S
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC NameN'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCCn1nnnc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C11H14N6O3S/c1-2-5-17-11(14-15-16-17)21-7-9(18)12-13-10(19)8-4-3-6-20-8/h3-4,6H,2,5,7H2,1H3,(H,12,18)(H,13,19)
InChIKeyWUYCEPIQDRIMRU-UHFFFAOYSA-N
XLogP0.23
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide (CID 1452258) is N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide is CCCn1nnnc1SCC(=O)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is WUYCEPIQDRIMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3S/c1-2-5-17-11(14-15-16-17)21-7-9(18)12-13-10(19)8-4-3-6-20-8/h3-4,6H,2,5,7H2,1H3,(H,12,18)(H,13,19).
What are the key properties of N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 310.34 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-propyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 1452258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).