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

C12H16N6O3S — CID 3212951

IUPACN'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCCCn1nnnc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C12H16N6O3S/c1-2-3-6-18-12(15-16-17-18)22-8-10(19)13-14-11(20)9-5-4-7-21-9/h4-5,7H,2-3,6,8H2,1H3,(H,13,19)(H,14,20)
InChIKeyYYMCDJWFVUVBDV-UHFFFAOYSA-N
MW324.37 g/mol
LogP0.62
Rot. Bonds7

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

N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 3212951) has the molecular formula C12H16N6O3S and a molecular weight of 324.37 g/mol. Its IUPAC name is N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID3212951
Molecular FormulaC12H16N6O3S
Molecular Weight324.37 g/mol
Exact Mass324.10
IUPAC NameN'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCCCn1nnnc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C12H16N6O3S/c1-2-3-6-18-12(15-16-17-18)22-8-10(19)13-14-11(20)9-5-4-7-21-9/h4-5,7H,2-3,6,8H2,1H3,(H,13,19)(H,14,20)
InChIKeyYYMCDJWFVUVBDV-UHFFFAOYSA-N
XLogP0.62
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 50.62
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-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide (CID 3212951) is N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide is CCCCn1nnnc1SCC(=O)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is YYMCDJWFVUVBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3S/c1-2-3-6-18-12(15-16-17-18)22-8-10(19)13-14-11(20)9-5-4-7-21-9/h4-5,7H,2-3,6,8H2,1H3,(H,13,19)(H,14,20).
What are the key properties of N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 324.37 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-butyltetrazol-5-yl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 3212951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).