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

C13H25N5 — CID 64574763

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)(CN)N1CCn2cnnc2C1
InChIInChI=1S/C13H25N5/c1-3-5-6-13(4-2,10-14)18-8-7-17-11-15-16-12(17)9-18/h11H,3-10,14H2,1-2H3
InChIKeyRGDZKKIOYDQANA-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.39
Rot. Bonds6

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine (PubChem CID 64574763) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine
PubChem CID64574763
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)(CN)N1CCn2cnnc2C1
InChIInChI=1S/C13H25N5/c1-3-5-6-13(4-2,10-14)18-8-7-17-11-15-16-12(17)9-18/h11H,3-10,14H2,1-2H3
InChIKeyRGDZKKIOYDQANA-UHFFFAOYSA-N
XLogP1.39
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine (CID 64574763) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine is CCCCC(CC)(CN)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine?
The InChIKey is RGDZKKIOYDQANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-5-6-13(4-2,10-14)18-8-7-17-11-15-16-12(17)9-18/h11H,3-10,14H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylhexan-1-amine is sourced from PubChem (CID 64574763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).