2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide

C10H12N6OS — CID 114199375

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide
SMILESCn1ncnc1SCc1ncccc1C(=O)NN
InChIInChI=1S/C10H12N6OS/c1-16-10(13-6-14-16)18-5-8-7(9(17)15-11)3-2-4-12-8/h2-4,6H,5,11H2,1H3,(H,15,17)
InChIKeyNTPZZKDSELORSL-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.11
Rot. Bonds4

About 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide (PubChem CID 114199375) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide
PubChem CID114199375
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide
SMILESCn1ncnc1SCc1ncccc1C(=O)NN
InChIInChI=1S/C10H12N6OS/c1-16-10(13-6-14-16)18-5-8-7(9(17)15-11)3-2-4-12-8/h2-4,6H,5,11H2,1H3,(H,15,17)
InChIKeyNTPZZKDSELORSL-UHFFFAOYSA-N
XLogP0.11
TPSA98.72 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 ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 104604202
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 104604223
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-3-carbohydrazide
CID 114199363
methyl 2-amino-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
CID 104825835
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylic acid
CID 104602563
2-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 106698744
5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
CID 104604017
methyl 2-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate
CID 113429891
5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 104604179
4-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
CID 114014769
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine
CID 104603985

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide (CID 114199375) is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide is Cn1ncnc1SCc1ncccc1C(=O)NN.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide?
The InChIKey is NTPZZKDSELORSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-16-10(13-6-14-16)18-5-8-7(9(17)15-11)3-2-4-12-8/h2-4,6H,5,11H2,1H3,(H,15,17).
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide?
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide has a molecular weight of 264.31 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 114199375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).