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

C15H29N5 — CID 64580209

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCn2cnnc2C1
InChIInChI=1S/C15H29N5/c1-4-7-16-11-15(5-2,6-3)12-19-8-9-20-13-17-18-14(20)10-19/h13,16H,4-12H2,1-3H3
InChIKeyXLYLIABBFQMVPV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.90
Rot. Bonds8

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine (PubChem CID 64580209) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine
PubChem CID64580209
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCn2cnnc2C1
InChIInChI=1S/C15H29N5/c1-4-7-16-11-15(5-2,6-3)12-19-8-9-20-13-17-18-14(20)10-19/h13,16H,4-12H2,1-3H3
InChIKeyXLYLIABBFQMVPV-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-ylmethyl)-2-ethyl-N-propylbutan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine (CID 64580209) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine is CCCNCC(CC)(CC)CN1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine?
The InChIKey is XLYLIABBFQMVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-4-7-16-11-15(5-2,6-3)12-19-8-9-20-13-17-18-14(20)10-19/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-ethyl-N-propylbutan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 1.90, 8 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-ylmethyl)-2-ethyl-N-propylbutan-1-amine is sourced from PubChem (CID 64580209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).