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

C10H15N5O — CID 66272180

IUPAC2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)NCCn1nc2cnccn2c1=O
InChIInChI=1S/C10H15N5O/c1-8(2)12-4-6-15-10(16)14-5-3-11-7-9(14)13-15/h3,5,7-8,12H,4,6H2,1-2H3
InChIKeyWKGSFAFMJJNOLX-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.11
Rot. Bonds4

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

2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272180) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272180
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)NCCn1nc2cnccn2c1=O
InChIInChI=1S/C10H15N5O/c1-8(2)12-4-6-15-10(16)14-5-3-11-7-9(14)13-15/h3,5,7-8,12H,4,6H2,1-2H3
InChIKeyWKGSFAFMJJNOLX-UHFFFAOYSA-N
XLogP-0.11
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272180) is 2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)NCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is WKGSFAFMJJNOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8(2)12-4-6-15-10(16)14-5-3-11-7-9(14)13-15/h3,5,7-8,12H,4,6H2,1-2H3.
What are the key properties of 2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 221.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).