3-pyrazol-1-ylpyrazin-2-amine

C7H7N5 — CID 102988504

IUPAC3-pyrazol-1-ylpyrazin-2-amine
SMILESNc1nccnc1-n1cccn1
InChIInChI=1S/C7H7N5/c8-6-7(10-4-3-9-6)12-5-1-2-11-12/h1-5H,(H2,8,9)
InChIKeyBGHNRZBNWREEFM-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.24
Rot. Bonds1

About 3-pyrazol-1-ylpyrazin-2-amine

3-pyrazol-1-ylpyrazin-2-amine (PubChem CID 102988504) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 3-pyrazol-1-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-pyrazol-1-ylpyrazin-2-amine
PubChem CID102988504
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name3-pyrazol-1-ylpyrazin-2-amine
SMILESNc1nccnc1-n1cccn1
InChIInChI=1S/C7H7N5/c8-6-7(10-4-3-9-6)12-5-1-2-11-12/h1-5H,(H2,8,9)
InChIKeyBGHNRZBNWREEFM-UHFFFAOYSA-N
XLogP0.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylpyrazin-2-amine?
The IUPAC name of 3-pyrazol-1-ylpyrazin-2-amine (CID 102988504) is 3-pyrazol-1-ylpyrazin-2-amine.
What is the SMILES notation for 3-pyrazol-1-ylpyrazin-2-amine?
The canonical SMILES for 3-pyrazol-1-ylpyrazin-2-amine is Nc1nccnc1-n1cccn1.
What is the InChIKey of 3-pyrazol-1-ylpyrazin-2-amine?
The InChIKey is BGHNRZBNWREEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-6-7(10-4-3-9-6)12-5-1-2-11-12/h1-5H,(H2,8,9).
What are the key properties of 3-pyrazol-1-ylpyrazin-2-amine?
3-pyrazol-1-ylpyrazin-2-amine has a molecular weight of 161.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylpyrazin-2-amine is sourced from PubChem (CID 102988504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).