N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide

C10H12N6OS — CID 136689001

IUPACN'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide
SMILESCc1ccc(Sc2nnnn2C)c(/C(N)=N/O)c1
InChIInChI=1S/C10H12N6OS/c1-6-3-4-8(7(5-6)9(11)13-17)18-10-12-14-15-16(10)2/h3-5,17H,1-2H3,(H2,11,13)
InChIKeyNURQSHOFNOMCTR-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.76
Rot. Bonds3

About N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide

N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide (PubChem CID 136689001) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide
PubChem CID136689001
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC NameN'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide
SMILESCc1ccc(Sc2nnnn2C)c(/C(N)=N/O)c1
InChIInChI=1S/C10H12N6OS/c1-6-3-4-8(7(5-6)9(11)13-17)18-10-12-14-15-16(10)2/h3-5,17H,1-2H3,(H2,11,13)
InChIKeyNURQSHOFNOMCTR-UHFFFAOYSA-N
XLogP0.76
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide (CID 136689001) is N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide is Cc1ccc(Sc2nnnn2C)c(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
The InChIKey is NURQSHOFNOMCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-6-3-4-8(7(5-6)9(11)13-17)18-10-12-14-15-16(10)2/h3-5,17H,1-2H3,(H2,11,13).
What are the key properties of N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide?
N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide has a molecular weight of 264.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-(1-methyltetrazol-5-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 136689001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).