8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

C14H16N6O — CID 136529078

IUPAC8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1coc(CN2CCN(c3nccn4cnnc34)CC2)c1
InChIInChI=1S/C14H16N6O/c1-2-12(21-9-1)10-18-5-7-19(8-6-18)13-14-17-16-11-20(14)4-3-15-13/h1-4,9,11H,5-8,10H2
InChIKeyDRXHWIUMNHNMSI-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.04
Rot. Bonds3

About 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine

8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 136529078) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID136529078
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1coc(CN2CCN(c3nccn4cnnc34)CC2)c1
InChIInChI=1S/C14H16N6O/c1-2-12(21-9-1)10-18-5-7-19(8-6-18)13-14-17-16-11-20(14)4-3-15-13/h1-4,9,11H,5-8,10H2
InChIKeyDRXHWIUMNHNMSI-UHFFFAOYSA-N
XLogP1.04
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 136529078) is 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is c1coc(CN2CCN(c3nccn4cnnc34)CC2)c1.
What is the InChIKey of 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is DRXHWIUMNHNMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-2-12(21-9-1)10-18-5-7-19(8-6-18)13-14-17-16-11-20(14)4-3-15-13/h1-4,9,11H,5-8,10H2.
What are the key properties of 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine?
8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 284.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(furan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 136529078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).