6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine

C12H14N4S — CID 107647318

IUPAC6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
SMILESCSc1ccccc1Nc1cccc(NN)n1
InChIInChI=1S/C12H14N4S/c1-17-10-6-3-2-5-9(10)14-11-7-4-8-12(15-11)16-13/h2-8H,13H2,1H3,(H2,14,15,16)
InChIKeyRFAKIGUUSVUNQZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.83
Rot. Bonds4

About 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine

6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine (PubChem CID 107647318) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
PubChem CID107647318
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine
SMILESCSc1ccccc1Nc1cccc(NN)n1
InChIInChI=1S/C12H14N4S/c1-17-10-6-3-2-5-9(10)14-11-7-4-8-12(15-11)16-13/h2-8H,13H2,1H3,(H2,14,15,16)
InChIKeyRFAKIGUUSVUNQZ-UHFFFAOYSA-N
XLogP2.83
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine (CID 107647318) is 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine is CSc1ccccc1Nc1cccc(NN)n1.
What is the InChIKey of 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
The InChIKey is RFAKIGUUSVUNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-17-10-6-3-2-5-9(10)14-11-7-4-8-12(15-11)16-13/h2-8H,13H2,1H3,(H2,14,15,16).
What are the key properties of 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine?
6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine has a molecular weight of 246.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridin-2-amine is sourced from PubChem (CID 107647318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).