7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C10H11FN4O — CID 136961333

IUPAC7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]c([C@@H]2CCCN2)nn2c(F)ccc12
InChIInChI=1S/C10H11FN4O/c11-8-4-3-7-10(16)13-9(14-15(7)8)6-2-1-5-12-6/h3-4,6,12H,1-2,5H2,(H,13,14,16)/t6-/m0/s1
InChIKeyXVZRMEBBMZJNTA-LURJTMIESA-N
MW222.22 g/mol
LogP0.59
Rot. Bonds1

About 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 136961333) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID136961333
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]c([C@@H]2CCCN2)nn2c(F)ccc12
InChIInChI=1S/C10H11FN4O/c11-8-4-3-7-10(16)13-9(14-15(7)8)6-2-1-5-12-6/h3-4,6,12H,1-2,5H2,(H,13,14,16)/t6-/m0/s1
InChIKeyXVZRMEBBMZJNTA-LURJTMIESA-N
XLogP0.59
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 136961333) is 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1[nH]c([C@@H]2CCCN2)nn2c(F)ccc12.
What is the InChIKey of 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is XVZRMEBBMZJNTA-LURJTMIESA-N. The full InChI is InChI=1S/C10H11FN4O/c11-8-4-3-7-10(16)13-9(14-15(7)8)6-2-1-5-12-6/h3-4,6,12H,1-2,5H2,(H,13,14,16)/t6-/m0/s1.
What are the key properties of 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 222.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 136961333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).