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

C12H23N5 — CID 64575529

IUPAC1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine
SMILESCCCC(CN1CCn2cnnc2C1)NCC
InChIInChI=1S/C12H23N5/c1-3-5-11(13-4-2)8-16-6-7-17-10-14-15-12(17)9-16/h10-11,13H,3-9H2,1-2H3
InChIKeyXRGXZSWFGGYQRD-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.87
Rot. Bonds6

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

1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine (PubChem CID 64575529) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine
PubChem CID64575529
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine
SMILESCCCC(CN1CCn2cnnc2C1)NCC
InChIInChI=1S/C12H23N5/c1-3-5-11(13-4-2)8-16-6-7-17-10-14-15-12(17)9-16/h10-11,13H,3-9H2,1-2H3
InChIKeyXRGXZSWFGGYQRD-UHFFFAOYSA-N
XLogP0.87
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine?
The IUPAC name of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine (CID 64575529) is 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine.
What is the SMILES notation for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine?
The canonical SMILES for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine is CCCC(CN1CCn2cnnc2C1)NCC.
What is the InChIKey of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine?
The InChIKey is XRGXZSWFGGYQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-5-11(13-4-2)8-16-6-7-17-10-14-15-12(17)9-16/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine?
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64575529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).