2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine

C16H24N6 — CID 53192062

IUPAC2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine
SMILESCC(C)CCN1CCCC(c2nc(-c3cnccn3)n[nH]2)C1
InChIInChI=1S/C16H24N6/c1-12(2)5-9-22-8-3-4-13(11-22)15-19-16(21-20-15)14-10-17-6-7-18-14/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H,19,20,21)
InChIKeyBRZALDQQPAAHMO-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.49
Rot. Bonds5

About 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine

2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine (PubChem CID 53192062) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine
PubChem CID53192062
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine
SMILESCC(C)CCN1CCCC(c2nc(-c3cnccn3)n[nH]2)C1
InChIInChI=1S/C16H24N6/c1-12(2)5-9-22-8-3-4-13(11-22)15-19-16(21-20-15)14-10-17-6-7-18-14/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H,19,20,21)
InChIKeyBRZALDQQPAAHMO-UHFFFAOYSA-N
XLogP2.49
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine (CID 53192062) is 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine is CC(C)CCN1CCCC(c2nc(-c3cnccn3)n[nH]2)C1.
What is the InChIKey of 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is BRZALDQQPAAHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-12(2)5-9-22-8-3-4-13(11-22)15-19-16(21-20-15)14-10-17-6-7-18-14/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine?
2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 300.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(3-methylbutyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 53192062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).