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

C13H23N5O — CID 64574762

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine
SMILESCCC1CC(CN)(N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C13H23N5O/c1-2-11-7-13(9-14,3-6-19-11)18-5-4-17-10-15-16-12(17)8-18/h10-11H,2-9,14H2,1H3
InChIKeyQEHZFTKKNDXAAD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.38
Rot. Bonds3

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

[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine (PubChem CID 64574762) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine
PubChem CID64574762
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine
SMILESCCC1CC(CN)(N2CCn3cnnc3C2)CCO1
InChIInChI=1S/C13H23N5O/c1-2-11-7-13(9-14,3-6-19-11)18-5-4-17-10-15-16-12(17)8-18/h10-11H,2-9,14H2,1H3
InChIKeyQEHZFTKKNDXAAD-UHFFFAOYSA-N
XLogP0.38
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 64097507
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CID 64099868
CID 64099868
CID 64099870
CID 64099870
CID 64101826
CID 64101826
CID 64101827
CID 64101827
CID 64102026
CID 64102026
CID 64102028
CID 64102028
CID 64575707
CID 64575707
CID 64575894
CID 64575894
CID 64575897
CID 64575897

Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine (CID 64574762) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine is CCC1CC(CN)(N2CCn3cnnc3C2)CCO1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine?
The InChIKey is QEHZFTKKNDXAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-11-7-13(9-14,3-6-19-11)18-5-4-17-10-15-16-12(17)8-18/h10-11H,2-9,14H2,1H3.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethyloxan-4-yl]methanamine is sourced from PubChem (CID 64574762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).