5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide

C11H8FN5O — CID 21014372

IUPAC5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H8FN5O/c12-7-1-2-8-6(3-7)4-9(15-8)10(18)16-11-13-5-14-17-11/h1-5,15H,(H2,13,14,16,17,18)
InChIKeyNEGNIGUMJDAPLY-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.68
Rot. Bonds2

About 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide

5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 21014372) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
PubChem CID21014372
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H8FN5O/c12-7-1-2-8-6(3-7)4-9(15-8)10(18)16-11-13-5-14-17-11/h1-5,15H,(H2,13,14,16,17,18)
InChIKeyNEGNIGUMJDAPLY-UHFFFAOYSA-N
XLogP1.68
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide (CID 21014372) is 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide is O=C(Nc1ncn[nH]1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is NEGNIGUMJDAPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-7-1-2-8-6(3-7)4-9(15-8)10(18)16-11-13-5-14-17-11/h1-5,15H,(H2,13,14,16,17,18).
What are the key properties of 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide?
5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 245.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1H-1,2,4-triazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 21014372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).