2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine

C13H13N5S — CID 59811041

IUPAC2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine
SMILESNCCc1c(-c2cnccn2)n[nH]c1-c1cccs1
InChIInChI=1S/C13H13N5S/c14-4-3-9-12(10-8-15-5-6-16-10)17-18-13(9)11-2-1-7-19-11/h1-2,5-8H,3-4,14H2,(H,17,18)
InChIKeyBRGPNARTDCBMKN-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.10
Rot. Bonds4

About 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine

2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine (PubChem CID 59811041) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine
PubChem CID59811041
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine
SMILESNCCc1c(-c2cnccn2)n[nH]c1-c1cccs1
InChIInChI=1S/C13H13N5S/c14-4-3-9-12(10-8-15-5-6-16-10)17-18-13(9)11-2-1-7-19-11/h1-2,5-8H,3-4,14H2,(H,17,18)
InChIKeyBRGPNARTDCBMKN-UHFFFAOYSA-N
XLogP2.10
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine (CID 59811041) is 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine is NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1.
What is the InChIKey of 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is BRGPNARTDCBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c14-4-3-9-12(10-8-15-5-6-16-10)17-18-13(9)11-2-1-7-19-11/h1-2,5-8H,3-4,14H2,(H,17,18).
What are the key properties of 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine?
2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 271.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 59811041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).