2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H15N5O2 — CID 66271324

IUPAC2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC(O)CNC2CC2)nc2cnccn12
InChIInChI=1S/C11H15N5O2/c17-9(5-13-8-1-2-8)7-16-11(18)15-4-3-12-6-10(15)14-16/h3-4,6,8-9,13,17H,1-2,5,7H2
InChIKeyMQUXFBBXTSLMJX-UHFFFAOYSA-N
MW249.27 g/mol
LogP-1.00
Rot. Bonds5

About 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271324) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271324
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CC(O)CNC2CC2)nc2cnccn12
InChIInChI=1S/C11H15N5O2/c17-9(5-13-8-1-2-8)7-16-11(18)15-4-3-12-6-10(15)14-16/h3-4,6,8-9,13,17H,1-2,5,7H2
InChIKeyMQUXFBBXTSLMJX-UHFFFAOYSA-N
XLogP-1.00
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271324) is 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CC(O)CNC2CC2)nc2cnccn12.
What is the InChIKey of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is MQUXFBBXTSLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c17-9(5-13-8-1-2-8)7-16-11(18)15-4-3-12-6-10(15)14-16/h3-4,6,8-9,13,17H,1-2,5,7H2.
What are the key properties of 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 249.27 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).