2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride

C8H16Cl2N4O — CID 66728863

IUPAC2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride
SMILESCC(C)(O)c1nnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C8H14N4O.2ClH/c1-8(2,13)7-11-10-6-5-9-3-4-12(6)7;;/h9,13H,3-5H2,1-2H3;2*1H
InChIKeyPJOJYBLHHHAPPV-UHFFFAOYSA-N
MW255.15 g/mol
LogP0.45
Rot. Bonds1

About 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride (PubChem CID 66728863) has the molecular formula C8H16Cl2N4O and a molecular weight of 255.15 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride
PubChem CID66728863
Molecular FormulaC8H16Cl2N4O
Molecular Weight255.15 g/mol
Exact Mass254.07
IUPAC Name2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride
SMILESCC(C)(O)c1nnc2n1CCNC2.Cl.Cl
InChIInChI=1S/C8H14N4O.2ClH/c1-8(2,13)7-11-10-6-5-9-3-4-12(6)7;;/h9,13H,3-5H2,1-2H3;2*1H
InChIKeyPJOJYBLHHHAPPV-UHFFFAOYSA-N
XLogP0.45
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride (CID 66728863) is 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride is CC(C)(O)c1nnc2n1CCNC2.Cl.Cl.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride?
The InChIKey is PJOJYBLHHHAPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.2ClH/c1-8(2,13)7-11-10-6-5-9-3-4-12(6)7;;/h9,13H,3-5H2,1-2H3;2*1H.
What are the key properties of 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride?
2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride has a molecular weight of 255.15 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 66728863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).