6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide

C12H13N5OS — CID 106909676

IUPAC6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSc2ccc(N)cn2)n1
InChIInChI=1S/C12H13N5OS/c13-8-4-5-11(15-6-8)19-7-9-2-1-3-10(16-9)12(18)17-14/h1-6H,7,13-14H2,(H,17,18)
InChIKeyDVNIEAAODPKVIV-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.95
Rot. Bonds4

About 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide

6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide (PubChem CID 106909676) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
PubChem CID106909676
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CSc2ccc(N)cn2)n1
InChIInChI=1S/C12H13N5OS/c13-8-4-5-11(15-6-8)19-7-9-2-1-3-10(16-9)12(18)17-14/h1-6H,7,13-14H2,(H,17,18)
InChIKeyDVNIEAAODPKVIV-UHFFFAOYSA-N
XLogP0.95
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909660
6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridine-2-carbohydrazide
CID 106909598
6-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909697
6-[(3-bromo-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909693
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
6-[(4-nitrophenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909631
3-[(5-amino-2-pyridinyl)sulfanyl]-2-methylpropanehydrazide
CID 63590276
6-[(2-amino-5-methoxyphenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909719
6-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909643
3-[(5-amino-2-pyridinyl)sulfanyl]-2,2-dimethylpropanehydrazide
CID 79630811
6-(oxetan-3-ylsulfanylmethyl)pyridine-2-carbohydrazide
CID 106909718
6-[(5-amino-2-pyridinyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 43301251

Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide (CID 106909676) is 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(CSc2ccc(N)cn2)n1.
What is the InChIKey of 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide?
The InChIKey is DVNIEAAODPKVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c13-8-4-5-11(15-6-8)19-7-9-2-1-3-10(16-9)12(18)17-14/h1-6H,7,13-14H2,(H,17,18).
What are the key properties of 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide?
6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide has a molecular weight of 275.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).