2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine

C11H17N5 — CID 115430482

IUPAC2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine
SMILESCCC(CC)(CN)c1nnc2cnccn12
InChIInChI=1S/C11H17N5/c1-3-11(4-2,8-12)10-15-14-9-7-13-5-6-16(9)10/h5-7H,3-4,8,12H2,1-2H3
InChIKeyUPAWPFUJCTYZTG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.14
Rot. Bonds4

About 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine

2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine (PubChem CID 115430482) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine
PubChem CID115430482
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine
SMILESCCC(CC)(CN)c1nnc2cnccn12
InChIInChI=1S/C11H17N5/c1-3-11(4-2,8-12)10-15-14-9-7-13-5-6-16(9)10/h5-7H,3-4,8,12H2,1-2H3
InChIKeyUPAWPFUJCTYZTG-UHFFFAOYSA-N
XLogP1.14
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanamine
CID 16770347
3-ethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 590449
6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine
CID 43479092
3-pent-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyrazine
CID 174183159
2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 115431380
ethyl 2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butanoate
CID 79471998
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine
CID 43665678
N-methyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-1-amine
CID 131052358
[1-([1,2,4]triazolo[4,3-a]pyrazin-3-ylmethyl)cyclobutyl]methanamine
CID 81161196
2-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 115428038
4-[2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethyl]aniline
CID 113290443
ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate
CID 79471738

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine (CID 115430482) is 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine is CCC(CC)(CN)c1nnc2cnccn12.
What is the InChIKey of 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine?
The InChIKey is UPAWPFUJCTYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-11(4-2,8-12)10-15-14-9-7-13-5-6-16(9)10/h5-7H,3-4,8,12H2,1-2H3.
What are the key properties of 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine?
2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)butan-1-amine is sourced from PubChem (CID 115430482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).