(3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one

C10H6FN5O — CID 135535912

IUPAC(3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=N/c1ncn[nH]1
InChIInChI=1S/C10H6FN5O/c11-5-1-2-7-6(3-5)8(9(17)14-7)15-10-12-4-13-16-10/h1-4H,(H2,12,13,14,15,16,17)
InChIKeyOGBIWQGLAGUYJF-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.02
Rot. Bonds1

About (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one

(3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one (PubChem CID 135535912) has the molecular formula C10H6FN5O and a molecular weight of 231.19 g/mol. Its IUPAC name is (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one
PubChem CID135535912
Molecular FormulaC10H6FN5O
Molecular Weight231.19 g/mol
Exact Mass231.06
IUPAC Name(3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=N/c1ncn[nH]1
InChIInChI=1S/C10H6FN5O/c11-5-1-2-7-6(3-5)8(9(17)14-7)15-10-12-4-13-16-10/h1-4H,(H2,12,13,14,15,16,17)
InChIKeyOGBIWQGLAGUYJF-UHFFFAOYSA-N
XLogP1.02
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-methoxyimino-1H-indol-2-one
CID 137234814
5-bromo-3-(4-fluorophenyl)imino-1H-indol-2-one
CID 135559321
3-(2,4-difluorophenyl)imino-1H-indol-2-one
CID 135473672
2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 152973607
(3Z)-5-fluoro-3-[[5-(2-methoxyphenyl)sulfanyl-1,3,4-thiadiazol-2-yl]imino]-1H-indol-2-one
CID 162395540
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-fluorophenyl)urea
CID 135995910
(3Z)-3-[(Z)-(6-chloro-2-oxo-3H-inden-1-ylidene)hydrazinylidene]-5-fluoro-1H-indol-2-one
CID 172921472
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
CID 73212798
CID 73212798
(2Z)-2-(1H-1,2,4-triazol-5-ylimino)-1,3-thiazolidin-4-one
CID 155811958
3-(dimethylaminomethylidene)-5-fluoro-1H-indol-2-one
CID 70497193
5-fluoro-3-(3H-furo[3,4-c]pyridin-1-ylidene)-1H-indol-2-one
CID 76798885

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one?
The IUPAC name of (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one (CID 135535912) is (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=N/c1ncn[nH]1.
What is the InChIKey of (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one?
The InChIKey is OGBIWQGLAGUYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN5O/c11-5-1-2-7-6(3-5)8(9(17)14-7)15-10-12-4-13-16-10/h1-4H,(H2,12,13,14,15,16,17).
What are the key properties of (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one?
(3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one has a molecular weight of 231.19 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3-(1H-1,2,4-triazol-5-ylimino)-1H-indol-2-one is sourced from PubChem (CID 135535912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).