2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine

C9H11N5 — CID 46397977

IUPAC2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESCC(C)c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C9H11N5/c1-6(2)8-12-9(14-13-8)7-5-10-3-4-11-7/h3-6H,1-2H3,(H,12,13,14)
InChIKeyFLYCWSKOGHBKFX-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.39
Rot. Bonds2

About 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine

2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine (PubChem CID 46397977) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
PubChem CID46397977
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESCC(C)c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C9H11N5/c1-6(2)8-12-9(14-13-8)7-5-10-3-4-11-7/h3-6H,1-2H3,(H,12,13,14)
InChIKeyFLYCWSKOGHBKFX-UHFFFAOYSA-N
XLogP1.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine (CID 46397977) is 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine is CC(C)c1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is FLYCWSKOGHBKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6(2)8-12-9(14-13-8)7-5-10-3-4-11-7/h3-6H,1-2H3,(H,12,13,14).
What are the key properties of 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine?
2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 189.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 46397977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).