5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide

C10H8N6OS — CID 114388033

IUPAC5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2nccnn2)nc1
InChIInChI=1S/C10H8N6OS/c11-8(18)6-1-2-7(13-5-6)9(17)15-10-12-3-4-14-16-10/h1-5H,(H2,11,18)(H,12,15,16,17)
InChIKeyWKIVCWQFLDEPCV-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.15
Rot. Bonds3

About 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide

5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide (PubChem CID 114388033) has the molecular formula C10H8N6OS and a molecular weight of 260.28 g/mol. Its IUPAC name is 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
PubChem CID114388033
Molecular FormulaC10H8N6OS
Molecular Weight260.28 g/mol
Exact Mass260.05
IUPAC Name5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)Nc2nccnn2)nc1
InChIInChI=1S/C10H8N6OS/c11-8(18)6-1-2-7(13-5-6)9(17)15-10-12-3-4-14-16-10/h1-5H,(H2,11,18)(H,12,15,16,17)
InChIKeyWKIVCWQFLDEPCV-UHFFFAOYSA-N
XLogP0.15
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-carbamothioyl-N-phenylpyridine-2-carboxamide
CID 63723576
5-carbamothioyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 63723754
5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 114912663
5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 65469584
N-(4-bromophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 63724746
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 106345629
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
6-(methylamino)-N-(1,2,4-triazin-3-yl)pyridazine-3-carboxamide
CID 114389495
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 63722901
4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389539
5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106329081
4-cyano-N-(1,2,4-triazin-3-yl)benzamide
CID 113242350

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide (CID 114388033) is 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide is NC(=S)c1ccc(C(=O)Nc2nccnn2)nc1.
What is the InChIKey of 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide?
The InChIKey is WKIVCWQFLDEPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6OS/c11-8(18)6-1-2-7(13-5-6)9(17)15-10-12-3-4-14-16-10/h1-5H,(H2,11,18)(H,12,15,16,17).
What are the key properties of 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide?
5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(1,2,4-triazin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114388033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).