N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine

C10H13N5 — CID 107381127

IUPACN-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine
SMILESCCNCc1cnc(-n2ccnc2)cn1
InChIInChI=1S/C10H13N5/c1-2-11-5-9-6-14-10(7-13-9)15-4-3-12-8-15/h3-4,6-8,11H,2,5H2,1H3
InChIKeyAPTKLPFSHYUOLK-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.77
Rot. Bonds4

About N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine

N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine (PubChem CID 107381127) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine
PubChem CID107381127
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine
SMILESCCNCc1cnc(-n2ccnc2)cn1
InChIInChI=1S/C10H13N5/c1-2-11-5-9-6-14-10(7-13-9)15-4-3-12-8-15/h3-4,6-8,11H,2,5H2,1H3
InChIKeyAPTKLPFSHYUOLK-UHFFFAOYSA-N
XLogP0.77
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine (CID 107381127) is N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine is CCNCc1cnc(-n2ccnc2)cn1.
What is the InChIKey of N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is APTKLPFSHYUOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-11-5-9-6-14-10(7-13-9)15-4-3-12-8-15/h3-4,6-8,11H,2,5H2,1H3.
What are the key properties of N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine?
N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 203.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-imidazol-1-ylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 107381127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).