6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine

C8H8ClN5 — CID 80857674

IUPAC6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine
SMILESCNc1cncc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C8H8ClN5/c1-10-7-3-11-4-8(13-7)14-5-6(9)2-12-14/h2-5H,1H3,(H,10,13)
InChIKeySQKXAXSGKIALFE-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.36
Rot. Bonds2

About 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine

6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine (PubChem CID 80857674) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine
PubChem CID80857674
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine
SMILESCNc1cncc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C8H8ClN5/c1-10-7-3-11-4-8(13-7)14-5-6(9)2-12-14/h2-5H,1H3,(H,10,13)
InChIKeySQKXAXSGKIALFE-UHFFFAOYSA-N
XLogP1.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine (CID 80857674) is 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine is CNc1cncc(-n2cc(Cl)cn2)n1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine?
The InChIKey is SQKXAXSGKIALFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-10-7-3-11-4-8(13-7)14-5-6(9)2-12-14/h2-5H,1H3,(H,10,13).
What are the key properties of 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine?
6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 80857674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).