3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine

C13H23N5O — CID 64574785

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1N1CCn2cnnc2C1
InChIInChI=1S/C13H23N5O/c1-2-4-14-11-3-7-19-9-12(11)17-5-6-18-10-15-16-13(18)8-17/h10-12,14H,2-9H2,1H3
InChIKeyFOTGWQTZBUFJSY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.25
Rot. Bonds4

About 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine (PubChem CID 64574785) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine
PubChem CID64574785
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1N1CCn2cnnc2C1
InChIInChI=1S/C13H23N5O/c1-2-4-14-11-3-7-19-9-12(11)17-5-6-18-10-15-16-13(18)8-17/h10-12,14H,2-9H2,1H3
InChIKeyFOTGWQTZBUFJSY-UHFFFAOYSA-N
XLogP0.25
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine (CID 64574785) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine is CCCNC1CCOCC1N1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine?
The InChIKey is FOTGWQTZBUFJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-4-14-11-3-7-19-9-12(11)17-5-6-18-10-15-16-13(18)8-17/h10-12,14H,2-9H2,1H3.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine has a molecular weight of 265.36 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propyloxan-4-amine is sourced from PubChem (CID 64574785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).