2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane

C14H19N5 — CID 75423058

IUPAC2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane
SMILESc1cn2cnnc2c(N2CCC3(CCCCC3)C2)n1
InChIInChI=1S/C14H19N5/c1-2-4-14(5-3-1)6-8-18(10-14)12-13-17-16-11-19(13)9-7-15-12/h7,9,11H,1-6,8,10H2
InChIKeyJNNCKCQQTPYOLD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.28
Rot. Bonds1

About 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane

2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane (PubChem CID 75423058) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane
PubChem CID75423058
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane
SMILESc1cn2cnnc2c(N2CCC3(CCCCC3)C2)n1
InChIInChI=1S/C14H19N5/c1-2-4-14(5-3-1)6-8-18(10-14)12-13-17-16-11-19(13)9-7-15-12/h7,9,11H,1-6,8,10H2
InChIKeyJNNCKCQQTPYOLD-UHFFFAOYSA-N
XLogP2.28
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane (CID 75423058) is 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane is c1cn2cnnc2c(N2CCC3(CCCCC3)C2)n1.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane?
The InChIKey is JNNCKCQQTPYOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-4-14(5-3-1)6-8-18(10-14)12-13-17-16-11-19(13)9-7-15-12/h7,9,11H,1-6,8,10H2.
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane?
2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane has a molecular weight of 257.34 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-azaspiro[4.5]decane is sourced from PubChem (CID 75423058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).