2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine

C15H18N8 — CID 56815169

IUPAC2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine
SMILESCn1cnnc1C1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C15H18N8/c1-21-11-17-20-15(21)12-3-7-22(8-4-12)13-9-16-10-14(19-13)23-6-2-5-18-23/h2,5-6,9-12H,3-4,7-8H2,1H3
InChIKeyOVLAFJGWAHXUSP-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.17
Rot. Bonds3

About 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine

2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine (PubChem CID 56815169) has the molecular formula C15H18N8 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine.

Molecular Properties

Compound Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine
PubChem CID56815169
Molecular FormulaC15H18N8
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine
SMILESCn1cnnc1C1CCN(c2cncc(-n3cccn3)n2)CC1
InChIInChI=1S/C15H18N8/c1-21-11-17-20-15(21)12-3-7-22(8-4-12)13-9-16-10-14(19-13)23-6-2-5-18-23/h2,5-6,9-12H,3-4,7-8H2,1H3
InChIKeyOVLAFJGWAHXUSP-UHFFFAOYSA-N
XLogP1.17
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine?
The IUPAC name of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine (CID 56815169) is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine.
What is the SMILES notation for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine?
The canonical SMILES for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine is Cn1cnnc1C1CCN(c2cncc(-n3cccn3)n2)CC1.
What is the InChIKey of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine?
The InChIKey is OVLAFJGWAHXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8/c1-21-11-17-20-15(21)12-3-7-22(8-4-12)13-9-16-10-14(19-13)23-6-2-5-18-23/h2,5-6,9-12H,3-4,7-8H2,1H3.
What are the key properties of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine?
2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine has a molecular weight of 310.37 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-pyrazol-1-ylpyrazine is sourced from PubChem (CID 56815169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).