2-propylsulfanylpyridine-4-carbohydrazide

C9H13N3OS — CID 175031820

IUPAC2-propylsulfanylpyridine-4-carbohydrazide
SMILESCCCSc1cc(C(=O)NN)ccn1
InChIInChI=1S/C9H13N3OS/c1-2-5-14-8-6-7(3-4-11-8)9(13)12-10/h3-4,6H,2,5,10H2,1H3,(H,12,13)
InChIKeyNRBQOYCTPFEKTA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.19
Rot. Bonds4

About 2-propylsulfanylpyridine-4-carbohydrazide

2-propylsulfanylpyridine-4-carbohydrazide (PubChem CID 175031820) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-propylsulfanylpyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-propylsulfanylpyridine-4-carbohydrazide
PubChem CID175031820
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-propylsulfanylpyridine-4-carbohydrazide
SMILESCCCSc1cc(C(=O)NN)ccn1
InChIInChI=1S/C9H13N3OS/c1-2-5-14-8-6-7(3-4-11-8)9(13)12-10/h3-4,6H,2,5,10H2,1H3,(H,12,13)
InChIKeyNRBQOYCTPFEKTA-UHFFFAOYSA-N
XLogP1.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-propylsulfanylpyridine-4-carboxamide
CID 22298978
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid
CID 43409604
2-[4-(diethylamino)-4-oxobutyl]sulfanylpyridine-4-carboxylic acid
CID 61301257
2-ethylsulfanyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 60567208
2-[2-oxo-2-(pentan-2-ylamino)ethyl]sulfanylpyridine-4-carboxylic acid
CID 61300490
2-hydrazinyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 62243779
2-(3-anilino-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 61300890
ethyl 3-(2-methylsulfanyl-4-pyridinyl)-3-oxopropanoate
CID 169291384
molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide
CID 161308535
N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 60566678

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylpyridine-4-carbohydrazide?
The IUPAC name of 2-propylsulfanylpyridine-4-carbohydrazide (CID 175031820) is 2-propylsulfanylpyridine-4-carbohydrazide.
What is the SMILES notation for 2-propylsulfanylpyridine-4-carbohydrazide?
The canonical SMILES for 2-propylsulfanylpyridine-4-carbohydrazide is CCCSc1cc(C(=O)NN)ccn1.
What is the InChIKey of 2-propylsulfanylpyridine-4-carbohydrazide?
The InChIKey is NRBQOYCTPFEKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-5-14-8-6-7(3-4-11-8)9(13)12-10/h3-4,6H,2,5,10H2,1H3,(H,12,13).
What are the key properties of 2-propylsulfanylpyridine-4-carbohydrazide?
2-propylsulfanylpyridine-4-carbohydrazide has a molecular weight of 211.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylpyridine-4-carbohydrazide is sourced from PubChem (CID 175031820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).