N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide

C6H12N6OS — CID 43187652

IUPACN'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide
SMILESCn1nnnc1SCCC/C(N)=N/O
InChIInChI=1S/C6H12N6OS/c1-12-6(8-10-11-12)14-4-2-3-5(7)9-13/h13H,2-4H2,1H3,(H2,7,9)
InChIKeyJCMHJPLQMDRAJG-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.17
Rot. Bonds5

About N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide

N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide (PubChem CID 43187652) has the molecular formula C6H12N6OS and a molecular weight of 216.27 g/mol. Its IUPAC name is N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide
PubChem CID43187652
Molecular FormulaC6H12N6OS
Molecular Weight216.27 g/mol
Exact Mass216.08
IUPAC NameN'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide
SMILESCn1nnnc1SCCC/C(N)=N/O
InChIInChI=1S/C6H12N6OS/c1-12-6(8-10-11-12)14-4-2-3-5(7)9-13/h13H,2-4H2,1H3,(H2,7,9)
InChIKeyJCMHJPLQMDRAJG-UHFFFAOYSA-N
XLogP-0.17
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide?
The IUPAC name of N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide (CID 43187652) is N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide is Cn1nnnc1SCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide?
The InChIKey is JCMHJPLQMDRAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6OS/c1-12-6(8-10-11-12)14-4-2-3-5(7)9-13/h13H,2-4H2,1H3,(H2,7,9).
What are the key properties of N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide?
N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide has a molecular weight of 216.27 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide is sourced from PubChem (CID 43187652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).