1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine

C17H16N4 — CID 43211476

IUPAC1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine
SMILESNC(Cn1cncn1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H16N4/c18-17(9-21-11-19-10-20-21)13-5-6-16-14(8-13)7-12-3-1-2-4-15(12)16/h1-6,8,10-11,17H,7,9,18H2
InChIKeyGCTHJCDNUSGYTM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.55
Rot. Bonds3

About 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine

1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine (PubChem CID 43211476) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine
PubChem CID43211476
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine
SMILESNC(Cn1cncn1)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C17H16N4/c18-17(9-21-11-19-10-20-21)13-5-6-16-14(8-13)7-12-3-1-2-4-15(12)16/h1-6,8,10-11,17H,7,9,18H2
InChIKeyGCTHJCDNUSGYTM-UHFFFAOYSA-N
XLogP2.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine (CID 43211476) is 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine is NC(Cn1cncn1)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
The InChIKey is GCTHJCDNUSGYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c18-17(9-21-11-19-10-20-21)13-5-6-16-14(8-13)7-12-3-1-2-4-15(12)16/h1-6,8,10-11,17H,7,9,18H2.
What are the key properties of 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine?
1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine has a molecular weight of 276.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-2-(1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 43211476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).