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

C11H21N5 — CID 64574767

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)N1CCn2cnnc2C1
InChIInChI=1S/C11H21N5/c1-3-11(4-2,8-12)16-6-5-15-9-13-14-10(15)7-16/h9H,3-8,12H2,1-2H3
InChIKeyHISVIAHDZNNKBZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.61
Rot. Bonds4

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine (PubChem CID 64574767) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine
PubChem CID64574767
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)N1CCn2cnnc2C1
InChIInChI=1S/C11H21N5/c1-3-11(4-2,8-12)16-6-5-15-9-13-14-10(15)7-16/h9H,3-8,12H2,1-2H3
InChIKeyHISVIAHDZNNKBZ-UHFFFAOYSA-N
XLogP0.61
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.61
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-ethylbutan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine (CID 64574767) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine is CCC(CC)(CN)N1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine?
The InChIKey is HISVIAHDZNNKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-11(4-2,8-12)16-6-5-15-9-13-14-10(15)7-16/h9H,3-8,12H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-ethylbutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 0.61, 4 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-ethylbutan-1-amine is sourced from PubChem (CID 64574767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).