pyrazin-2-amine;1H-pyrazole

C7H9N5 — CID 68877252

IUPACpyrazin-2-amine;1H-pyrazole
SMILESNc1cnccn1.c1cn[nH]c1
InChIInChI=1S/C4H5N3.C3H4N2/c5-4-3-6-1-2-7-4;1-2-4-5-3-1/h1-3H,(H2,5,7);1-3H,(H,4,5)
InChIKeyHMLVKVPGSQXLNM-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.47
Rot. Bonds

About pyrazin-2-amine;1H-pyrazole

pyrazin-2-amine;1H-pyrazole (PubChem CID 68877252) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is pyrazin-2-amine;1H-pyrazole.

Molecular Properties

Compound Namepyrazin-2-amine;1H-pyrazole
PubChem CID68877252
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Namepyrazin-2-amine;1H-pyrazole
SMILESNc1cnccn1.c1cn[nH]c1
InChIInChI=1S/C4H5N3.C3H4N2/c5-4-3-6-1-2-7-4;1-2-4-5-3-1/h1-3H,(H2,5,7);1-3H,(H,4,5)
InChIKeyHMLVKVPGSQXLNM-UHFFFAOYSA-N
XLogP0.47
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-amine;1H-pyrazole?
The IUPAC name of pyrazin-2-amine;1H-pyrazole (CID 68877252) is pyrazin-2-amine;1H-pyrazole.
What is the SMILES notation for pyrazin-2-amine;1H-pyrazole?
The canonical SMILES for pyrazin-2-amine;1H-pyrazole is Nc1cnccn1.c1cn[nH]c1.
What is the InChIKey of pyrazin-2-amine;1H-pyrazole?
The InChIKey is HMLVKVPGSQXLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.C3H4N2/c5-4-3-6-1-2-7-4;1-2-4-5-3-1/h1-3H,(H2,5,7);1-3H,(H,4,5).
What are the key properties of pyrazin-2-amine;1H-pyrazole?
pyrazin-2-amine;1H-pyrazole has a molecular weight of 163.18 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-amine;1H-pyrazole is sourced from PubChem (CID 68877252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).