4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C12H13FN4 — CID 83065642

IUPAC4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCc1ncn[nH]1
InChIInChI=1S/C12H13FN4/c13-10-3-1-2-9-8(10)4-5-11(9)14-6-12-15-7-16-17-12/h1-3,7,11,14H,4-6H2,(H,15,16,17)
InChIKeyIESIHWINZNCVOZ-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.72
Rot. Bonds3

About 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 83065642) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID83065642
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCc1ncn[nH]1
InChIInChI=1S/C12H13FN4/c13-10-3-1-2-9-8(10)4-5-11(9)14-6-12-15-7-16-17-12/h1-3,7,11,14H,4-6H2,(H,15,16,17)
InChIKeyIESIHWINZNCVOZ-UHFFFAOYSA-N
XLogP1.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 83065642) is 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCc1ncn[nH]1.
What is the InChIKey of 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IESIHWINZNCVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-10-3-1-2-9-8(10)4-5-11(9)14-6-12-15-7-16-17-12/h1-3,7,11,14H,4-6H2,(H,15,16,17).
What are the key properties of 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 232.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83065642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).