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

C12H17N5O — CID 66271345

IUPAC2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(NCCn1nc2cnccn2c1=O)C1CC1
InChIInChI=1S/C12H17N5O/c1-9(10-2-3-10)14-5-7-17-12(18)16-6-4-13-8-11(16)15-17/h4,6,8-10,14H,2-3,5,7H2,1H3
InChIKeyQKWIODNCQMDNQT-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.28
Rot. Bonds5

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

2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271345) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271345
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(NCCn1nc2cnccn2c1=O)C1CC1
InChIInChI=1S/C12H17N5O/c1-9(10-2-3-10)14-5-7-17-12(18)16-6-4-13-8-11(16)15-17/h4,6,8-10,14H,2-3,5,7H2,1H3
InChIKeyQKWIODNCQMDNQT-UHFFFAOYSA-N
XLogP0.28
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271345) is 2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(NCCn1nc2cnccn2c1=O)C1CC1.
What is the InChIKey of 2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is QKWIODNCQMDNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(10-2-3-10)14-5-7-17-12(18)16-6-4-13-8-11(16)15-17/h4,6,8-10,14H,2-3,5,7H2,1H3.
What are the key properties of 2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 247.30 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).