N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide

C7H8N6S — CID 143942688

IUPACN'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
SMILESN/N=C(\N)c1ccc2n[nH]c(=S)n2c1
InChIInChI=1S/C7H8N6S/c8-6(10-9)4-1-2-5-11-12-7(14)13(5)3-4/h1-3H,9H2,(H2,8,10)(H,12,14)
InChIKeyKSUOWKQLWFOFMN-UHFFFAOYSA-N
MW208.25 g/mol
LogP-0.03
Rot. Bonds1

About N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide

N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide (PubChem CID 143942688) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide.

Molecular Properties

Compound NameN'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
PubChem CID143942688
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC NameN'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
SMILESN/N=C(\N)c1ccc2n[nH]c(=S)n2c1
InChIInChI=1S/C7H8N6S/c8-6(10-9)4-1-2-5-11-12-7(14)13(5)3-4/h1-3H,9H2,(H2,8,10)(H,12,14)
InChIKeyKSUOWKQLWFOFMN-UHFFFAOYSA-N
XLogP-0.03
TPSA97.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N'-amino-N-imino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide
CID 172960814
6-iodo-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 67444271
N-(2-amino-2-oxoethyl)-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 112708097
N'-amino-4-hydroxybenzenecarboximidamide
CID 135693195
N'-amino-1H-indazole-5-carboximidamide
CID 69029061
N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid
CID 160898215
benzyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 166189955
(3,3-dimethyl-2-oxobutyl) 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 166189959
6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 89443564
N'-aminofuran-3-carboximidamide
CID 76898364
N'-amino-3H-benzimidazole-5-carboximidamide
CID 58433226
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
The IUPAC name of N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide (CID 143942688) is N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide.
What is the SMILES notation for N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
The canonical SMILES for N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide is N/N=C(\N)c1ccc2n[nH]c(=S)n2c1.
What is the InChIKey of N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
The InChIKey is KSUOWKQLWFOFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c8-6(10-9)4-1-2-5-11-12-7(14)13(5)3-4/h1-3H,9H2,(H2,8,10)(H,12,14).
What are the key properties of N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide?
N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide has a molecular weight of 208.25 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboximidamide is sourced from PubChem (CID 143942688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).