2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine

C6H4ClN5 — CID 57170188

IUPAC2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine
SMILESClc1cncc(-c2ncn[nH]2)n1
InChIInChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12)
InChIKeyKOARCKONUFDYQJ-UHFFFAOYSA-N
MW181.59 g/mol
LogP0.92
Rot. Bonds1

About 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine

2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine (PubChem CID 57170188) has the molecular formula C6H4ClN5 and a molecular weight of 181.59 g/mol. Its IUPAC name is 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine
PubChem CID57170188
Molecular FormulaC6H4ClN5
Molecular Weight181.59 g/mol
Exact Mass181.02
IUPAC Name2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine
SMILESClc1cncc(-c2ncn[nH]2)n1
InChIInChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12)
InChIKeyKOARCKONUFDYQJ-UHFFFAOYSA-N
XLogP0.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.59
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine?
The IUPAC name of 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine (CID 57170188) is 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine is Clc1cncc(-c2ncn[nH]2)n1.
What is the InChIKey of 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine?
The InChIKey is KOARCKONUFDYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN5/c7-5-2-8-1-4(11-5)6-9-3-10-12-6/h1-3H,(H,9,10,12).
What are the key properties of 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine?
2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine has a molecular weight of 181.59 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1H-1,2,4-triazol-5-yl)pyrazine is sourced from PubChem (CID 57170188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).