N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide

C12H14N6O2S — CID 80921163

IUPACN-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
SMILESCOc1nc(NN)nc(Sc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C12H14N6O2S/c1-7(19)14-8-3-5-9(6-4-8)21-12-16-10(18-13)15-11(17-12)20-2/h3-6H,13H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyHUQIOARYCJZLGG-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.28
Rot. Bonds5

About N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide

N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide (PubChem CID 80921163) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
PubChem CID80921163
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC NameN-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
SMILESCOc1nc(NN)nc(Sc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C12H14N6O2S/c1-7(19)14-8-3-5-9(6-4-8)21-12-16-10(18-13)15-11(17-12)20-2/h3-6H,13H2,1-2H3,(H,14,19)(H,15,16,17,18)
InChIKeyHUQIOARYCJZLGG-UHFFFAOYSA-N
XLogP1.28
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide (CID 80921163) is N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide is COc1nc(NN)nc(Sc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide?
The InChIKey is HUQIOARYCJZLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c1-7(19)14-8-3-5-9(6-4-8)21-12-16-10(18-13)15-11(17-12)20-2/h3-6H,13H2,1-2H3,(H,14,19)(H,15,16,17,18).
What are the key properties of N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide?
N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide has a molecular weight of 306.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 80921163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).