7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C7H8FN5O — CID 130504227

IUPAC7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCCF)ncn12
InChIInChI=1S/C7H8FN5O/c8-1-2-9-5-3-6-11-12-7(14)13(6)4-10-5/h3-4,9H,1-2H2,(H,12,14)
InChIKeyBHGCQYHOKZHFOQ-UHFFFAOYSA-N
MW197.17 g/mol
LogP-0.20
Rot. Bonds3

About 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 130504227) has the molecular formula C7H8FN5O and a molecular weight of 197.17 g/mol. Its IUPAC name is 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID130504227
Molecular FormulaC7H8FN5O
Molecular Weight197.17 g/mol
Exact Mass197.07
IUPAC Name7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(NCCF)ncn12
InChIInChI=1S/C7H8FN5O/c8-1-2-9-5-3-6-11-12-7(14)13(6)4-10-5/h3-4,9H,1-2H2,(H,12,14)
InChIKeyBHGCQYHOKZHFOQ-UHFFFAOYSA-N
XLogP-0.20
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 130504227) is 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(NCCF)ncn12.
What is the InChIKey of 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is BHGCQYHOKZHFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN5O/c8-1-2-9-5-3-6-11-12-7(14)13(6)4-10-5/h3-4,9H,1-2H2,(H,12,14).
What are the key properties of 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 197.17 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 130504227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).