N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine

C15H14FN5S — CID 142987115

IUPACN-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine
SMILESNNc1ncc(-c2cccs2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C15H14FN5S/c16-11-5-3-10(4-6-11)8-18-14-15(21-17)19-9-12(20-14)13-2-1-7-22-13/h1-7,9H,8,17H2,(H,18,20)(H,19,21)
InChIKeyIALHWDCDEONYGD-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.24
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine

N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine (PubChem CID 142987115) has the molecular formula C15H14FN5S and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine
PubChem CID142987115
Molecular FormulaC15H14FN5S
Molecular Weight315.38 g/mol
Exact Mass315.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine
SMILESNNc1ncc(-c2cccs2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C15H14FN5S/c16-11-5-3-10(4-6-11)8-18-14-15(21-17)19-9-12(20-14)13-2-1-7-22-13/h1-7,9H,8,17H2,(H,18,20)(H,19,21)
InChIKeyIALHWDCDEONYGD-UHFFFAOYSA-N
XLogP3.24
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine (CID 142987115) is N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine is NNc1ncc(-c2cccs2)nc1NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine?
The InChIKey is IALHWDCDEONYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5S/c16-11-5-3-10(4-6-11)8-18-14-15(21-17)19-9-12(20-14)13-2-1-7-22-13/h1-7,9H,8,17H2,(H,18,20)(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine?
N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine has a molecular weight of 315.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydrazinyl-6-thiophen-2-ylpyrazin-2-amine is sourced from PubChem (CID 142987115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).