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

C10H13N5O — CID 66272181

IUPAC2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNC2CC2)nc2cnccn12
InChIInChI=1S/C10H13N5O/c16-10-14-5-3-11-7-9(14)13-15(10)6-4-12-8-1-2-8/h3,5,7-8,12H,1-2,4,6H2
InChIKeyPDBWASJFJIUWLB-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.36
Rot. Bonds4

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

2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272181) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272181
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESO=c1n(CCNC2CC2)nc2cnccn12
InChIInChI=1S/C10H13N5O/c16-10-14-5-3-11-7-9(14)13-15(10)6-4-12-8-1-2-8/h3,5,7-8,12H,1-2,4,6H2
InChIKeyPDBWASJFJIUWLB-UHFFFAOYSA-N
XLogP-0.36
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272181) is 2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is O=c1n(CCNC2CC2)nc2cnccn12.
What is the InChIKey of 2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is PDBWASJFJIUWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-10-14-5-3-11-7-9(14)13-15(10)6-4-12-8-1-2-8/h3,5,7-8,12H,1-2,4,6H2.
What are the key properties of 2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 219.25 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).