2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine

C8H8ClN5 — CID 130566646

IUPAC2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine
SMILESClCc1cnnn1Cc1cnccn1
InChIInChI=1S/C8H8ClN5/c9-3-8-5-12-13-14(8)6-7-4-10-1-2-11-7/h1-2,4-5H,3,6H2
InChIKeyGGCBLBXRMIHAFQ-UHFFFAOYSA-N
MW209.64 g/mol
LogP0.86
Rot. Bonds3

About 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine

2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine (PubChem CID 130566646) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine
PubChem CID130566646
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine
SMILESClCc1cnnn1Cc1cnccn1
InChIInChI=1S/C8H8ClN5/c9-3-8-5-12-13-14(8)6-7-4-10-1-2-11-7/h1-2,4-5H,3,6H2
InChIKeyGGCBLBXRMIHAFQ-UHFFFAOYSA-N
XLogP0.86
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine (CID 130566646) is 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine is ClCc1cnnn1Cc1cnccn1.
What is the InChIKey of 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine?
The InChIKey is GGCBLBXRMIHAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-3-8-5-12-13-14(8)6-7-4-10-1-2-11-7/h1-2,4-5H,3,6H2.
What are the key properties of 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine?
2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine has a molecular weight of 209.64 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(chloromethyl)triazol-1-yl]methyl]pyrazine is sourced from PubChem (CID 130566646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).