3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine

C8H8IN5 — CID 144824181

IUPAC3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILESCn1cc(-c2cnc(N)c(I)n2)cn1
InChIInChI=1S/C8H8IN5/c1-14-4-5(2-12-14)6-3-11-8(10)7(9)13-6/h2-4H,1H3,(H2,10,11)
InChIKeyQDVWKLAVAHYUQS-UHFFFAOYSA-N
MW301.09 g/mol
LogP1.06
Rot. Bonds1

About 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine

3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 144824181) has the molecular formula C8H8IN5 and a molecular weight of 301.09 g/mol. Its IUPAC name is 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
PubChem CID144824181
Molecular FormulaC8H8IN5
Molecular Weight301.09 g/mol
Exact Mass300.98
IUPAC Name3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILESCn1cc(-c2cnc(N)c(I)n2)cn1
InChIInChI=1S/C8H8IN5/c1-14-4-5(2-12-14)6-3-11-8(10)7(9)13-6/h2-4H,1H3,(H2,10,11)
InChIKeyQDVWKLAVAHYUQS-UHFFFAOYSA-N
XLogP1.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine (CID 144824181) is 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine is Cn1cc(-c2cnc(N)c(I)n2)cn1.
What is the InChIKey of 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is QDVWKLAVAHYUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN5/c1-14-4-5(2-12-14)6-3-11-8(10)7(9)13-6/h2-4H,1H3,(H2,10,11).
What are the key properties of 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine?
3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 301.09 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(1-methylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 144824181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).