2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine

C9H11N5 — CID 67734794

IUPAC2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine
SMILESCC(C)n1ncnc1-c1cnccn1
InChIInChI=1S/C9H11N5/c1-7(2)14-9(12-6-13-14)8-5-10-3-4-11-8/h3-7H,1-2H3
InChIKeyQSSMIPGMUMSMNI-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.32
Rot. Bonds2

About 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine

2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine (PubChem CID 67734794) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine
PubChem CID67734794
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine
SMILESCC(C)n1ncnc1-c1cnccn1
InChIInChI=1S/C9H11N5/c1-7(2)14-9(12-6-13-14)8-5-10-3-4-11-8/h3-7H,1-2H3
InChIKeyQSSMIPGMUMSMNI-UHFFFAOYSA-N
XLogP1.32
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine (CID 67734794) is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine is CC(C)n1ncnc1-c1cnccn1.
What is the InChIKey of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is QSSMIPGMUMSMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7(2)14-9(12-6-13-14)8-5-10-3-4-11-8/h3-7H,1-2H3.
What are the key properties of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine?
2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 189.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 67734794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).