2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine

C17H20N6 — CID 50980944

IUPAC2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine
SMILESCc1cnccc1-n1nc(C(C)C)nc1CCc1cnccn1
InChIInChI=1S/C17H20N6/c1-12(2)17-21-16(5-4-14-11-19-8-9-20-14)23(22-17)15-6-7-18-10-13(15)3/h6-12H,4-5H2,1-3H3
InChIKeyBYVGTVAVVHNYCL-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.67
Rot. Bonds5

About 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine

2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine (PubChem CID 50980944) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine.

Molecular Properties

Compound Name2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine
PubChem CID50980944
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine
SMILESCc1cnccc1-n1nc(C(C)C)nc1CCc1cnccn1
InChIInChI=1S/C17H20N6/c1-12(2)17-21-16(5-4-14-11-19-8-9-20-14)23(22-17)15-6-7-18-10-13(15)3/h6-12H,4-5H2,1-3H3
InChIKeyBYVGTVAVVHNYCL-UHFFFAOYSA-N
XLogP2.67
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine?
The IUPAC name of 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine (CID 50980944) is 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine.
What is the SMILES notation for 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine?
The canonical SMILES for 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine is Cc1cnccc1-n1nc(C(C)C)nc1CCc1cnccn1.
What is the InChIKey of 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine?
The InChIKey is BYVGTVAVVHNYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-12(2)17-21-16(5-4-14-11-19-8-9-20-14)23(22-17)15-6-7-18-10-13(15)3/h6-12H,4-5H2,1-3H3.
What are the key properties of 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine?
2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine has a molecular weight of 308.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]pyrazine is sourced from PubChem (CID 50980944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).