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

C6H4ClN5 — CID 77231195

IUPAC2-chloro-5-(1,2,4-triazol-1-yl)pyrazine
SMILESClc1cnc(-n2cncn2)cn1
InChIInChI=1S/C6H4ClN5/c7-5-1-10-6(2-9-5)12-4-8-3-11-12/h1-4H
InChIKeyCTVUIWBGHKLMDA-UHFFFAOYSA-N
MW181.59 g/mol
LogP0.71
Rot. Bonds1

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

2-chloro-5-(1,2,4-triazol-1-yl)pyrazine (PubChem CID 77231195) has the molecular formula C6H4ClN5 and a molecular weight of 181.59 g/mol. Its IUPAC name is 2-chloro-5-(1,2,4-triazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(1,2,4-triazol-1-yl)pyrazine
PubChem CID77231195
Molecular FormulaC6H4ClN5
Molecular Weight181.59 g/mol
Exact Mass181.02
IUPAC Name2-chloro-5-(1,2,4-triazol-1-yl)pyrazine
SMILESClc1cnc(-n2cncn2)cn1
InChIInChI=1S/C6H4ClN5/c7-5-1-10-6(2-9-5)12-4-8-3-11-12/h1-4H
InChIKeyCTVUIWBGHKLMDA-UHFFFAOYSA-N
XLogP0.71
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.59
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,2,4-triazol-1-yl)pyrazine?
The IUPAC name of 2-chloro-5-(1,2,4-triazol-1-yl)pyrazine (CID 77231195) is 2-chloro-5-(1,2,4-triazol-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-5-(1,2,4-triazol-1-yl)pyrazine?
The canonical SMILES for 2-chloro-5-(1,2,4-triazol-1-yl)pyrazine is Clc1cnc(-n2cncn2)cn1.
What is the InChIKey of 2-chloro-5-(1,2,4-triazol-1-yl)pyrazine?
The InChIKey is CTVUIWBGHKLMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN5/c7-5-1-10-6(2-9-5)12-4-8-3-11-12/h1-4H.
What are the key properties of 2-chloro-5-(1,2,4-triazol-1-yl)pyrazine?
2-chloro-5-(1,2,4-triazol-1-yl)pyrazine has a molecular weight of 181.59 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,2,4-triazol-1-yl)pyrazine is sourced from PubChem (CID 77231195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).