N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide

C10H12N6OS — CID 136674901

IUPACN'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide
SMILESCn1ncnc1SCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C10H12N6OS/c1-16-10(13-6-14-16)18-5-7-2-3-12-8(4-7)9(11)15-17/h2-4,6,17H,5H2,1H3,(H2,11,15)
InChIKeyIVVRSWJFKOJAID-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.60
Rot. Bonds4

About N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide

N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide (PubChem CID 136674901) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide
PubChem CID136674901
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC NameN'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide
SMILESCn1ncnc1SCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C10H12N6OS/c1-16-10(13-6-14-16)18-5-7-2-3-12-8(4-7)9(11)15-17/h2-4,6,17H,5H2,1H3,(H2,11,15)
InChIKeyIVVRSWJFKOJAID-UHFFFAOYSA-N
XLogP0.60
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.60
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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Related Compounds

N'-hydroxy-4-(pentylsulfanylmethyl)pyridine-2-carboximidamide
CID 136806090
N-ethyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylsulfanyl]acetamide
CID 136980183
N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridine-2-carboximidamide
CID 136960068
2-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 106698744
3-chloro-N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 113431722
N,N-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 75505415
3-[2-methoxy-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-yn-1-amine
CID 104603642
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444
3-[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-yn-1-ol
CID 104603671
4-[(2,4-dimethylpiperazin-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136726415
N'-hydroxy-4-[[2-(triazol-1-yl)ethylamino]methyl]pyridine-2-carboximidamide
CID 136824793
3-[2-fluoro-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-yn-1-ol
CID 104603665

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide (CID 136674901) is N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide is Cn1ncnc1SCc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide?
The InChIKey is IVVRSWJFKOJAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-16-10(13-6-14-16)18-5-7-2-3-12-8(4-7)9(11)15-17/h2-4,6,17H,5H2,1H3,(H2,11,15).
What are the key properties of N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide has a molecular weight of 264.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136674901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).