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

C10H18N4O — CID 64578832

IUPAC5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol
SMILESCC(O)CCCN1CCn2cnnc2C1
InChIInChI=1S/C10H18N4O/c1-9(15)3-2-4-13-5-6-14-8-11-12-10(14)7-13/h8-9,15H,2-7H2,1H3
InChIKeyHYDJQILOHQYNHR-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.25
Rot. Bonds4

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

5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol (PubChem CID 64578832) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol
PubChem CID64578832
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol
SMILESCC(O)CCCN1CCn2cnnc2C1
InChIInChI=1S/C10H18N4O/c1-9(15)3-2-4-13-5-6-14-8-11-12-10(14)7-13/h8-9,15H,2-7H2,1H3
InChIKeyHYDJQILOHQYNHR-UHFFFAOYSA-N
XLogP0.25
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol?
The IUPAC name of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol (CID 64578832) is 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol.
What is the SMILES notation for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol?
The canonical SMILES for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol is CC(O)CCCN1CCn2cnnc2C1.
What is the InChIKey of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol?
The InChIKey is HYDJQILOHQYNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9(15)3-2-4-13-5-6-14-8-11-12-10(14)7-13/h8-9,15H,2-7H2,1H3.
What are the key properties of 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol?
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentan-2-ol is sourced from PubChem (CID 64578832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).