2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H12N4O2 — CID 102735203

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n([C@H]2CCC[C@@H]2O)nc2cnccn12
InChIInChI=1S/C10H12N4O2/c15-8-3-1-2-7(8)14-10(16)13-5-4-11-6-9(13)12-14/h4-8,15H,1-3H2/t7-,8-/m0/s1
InChIKeyIGXDKPQEELNMQT-YUMQZZPRSA-N
MW220.23 g/mol
LogP-0.02
Rot. Bonds1

About 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 102735203) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID102735203
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n([C@H]2CCC[C@@H]2O)nc2cnccn12
InChIInChI=1S/C10H12N4O2/c15-8-3-1-2-7(8)14-10(16)13-5-4-11-6-9(13)12-14/h4-8,15H,1-3H2/t7-,8-/m0/s1
InChIKeyIGXDKPQEELNMQT-YUMQZZPRSA-N
XLogP-0.02
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 102735203) is 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n([C@H]2CCC[C@@H]2O)nc2cnccn12.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is IGXDKPQEELNMQT-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-8-3-1-2-7(8)14-10(16)13-5-4-11-6-9(13)12-14/h4-8,15H,1-3H2/t7-,8-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 220.23 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 102735203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).