2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C9H10F3N5O — CID 103366614

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNCC(Cn1nc2cnccn2c1=O)C(F)(F)F
InChIInChI=1S/C9H10F3N5O/c10-9(11,12)6(3-13)5-17-8(18)16-2-1-14-4-7(16)15-17/h1-2,4,6H,3,5,13H2
InChIKeyFKCWKHDXXWCVBO-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.03
Rot. Bonds3

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 103366614) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID103366614
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNCC(Cn1nc2cnccn2c1=O)C(F)(F)F
InChIInChI=1S/C9H10F3N5O/c10-9(11,12)6(3-13)5-17-8(18)16-2-1-14-4-7(16)15-17/h1-2,4,6H,3,5,13H2
InChIKeyFKCWKHDXXWCVBO-UHFFFAOYSA-N
XLogP0.03
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 103366614) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is NCC(Cn1nc2cnccn2c1=O)C(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is FKCWKHDXXWCVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c10-9(11,12)6(3-13)5-17-8(18)16-2-1-14-4-7(16)15-17/h1-2,4,6H,3,5,13H2.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 261.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 103366614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).