2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine

C15H23N7O — CID 86797860

IUPAC2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine
SMILESCc1nc(CN2CCN(c3cncc(OC(C)C)n3)CC2)n[nH]1
InChIInChI=1S/C15H23N7O/c1-11(2)23-15-9-16-8-14(18-15)22-6-4-21(5-7-22)10-13-17-12(3)19-20-13/h8-9,11H,4-7,10H2,1-3H3,(H,17,19,20)
InChIKeyDIXUDMIKQZIAIG-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.01
Rot. Bonds5

About 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine

2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine (PubChem CID 86797860) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine.

Molecular Properties

Compound Name2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine
PubChem CID86797860
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine
SMILESCc1nc(CN2CCN(c3cncc(OC(C)C)n3)CC2)n[nH]1
InChIInChI=1S/C15H23N7O/c1-11(2)23-15-9-16-8-14(18-15)22-6-4-21(5-7-22)10-13-17-12(3)19-20-13/h8-9,11H,4-7,10H2,1-3H3,(H,17,19,20)
InChIKeyDIXUDMIKQZIAIG-UHFFFAOYSA-N
XLogP1.01
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine?
The IUPAC name of 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine (CID 86797860) is 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine.
What is the SMILES notation for 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine?
The canonical SMILES for 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine is Cc1nc(CN2CCN(c3cncc(OC(C)C)n3)CC2)n[nH]1.
What is the InChIKey of 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine?
The InChIKey is DIXUDMIKQZIAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11(2)23-15-9-16-8-14(18-15)22-6-4-21(5-7-22)10-13-17-12(3)19-20-13/h8-9,11H,4-7,10H2,1-3H3,(H,17,19,20).
What are the key properties of 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine?
2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine has a molecular weight of 317.40 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-6-propan-2-yloxypyrazine is sourced from PubChem (CID 86797860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).