9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine

C18H18N4 — CID 158424616

IUPAC9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine
SMILESCC(C)=C1c2ccccc2-c2ccccc21.Nc1ncn[nH]1
InChIInChI=1S/C16H14.C2H4N4/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;3-2-4-1-5-6-2/h3-10H,1-2H3;1H,(H3,3,4,5,6)
InChIKeyHAXASEIMUDQVIP-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.90
Rot. Bonds

About 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine

9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine (PubChem CID 158424616) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine
PubChem CID158424616
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine
SMILESCC(C)=C1c2ccccc2-c2ccccc21.Nc1ncn[nH]1
InChIInChI=1S/C16H14.C2H4N4/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;3-2-4-1-5-6-2/h3-10H,1-2H3;1H,(H3,3,4,5,6)
InChIKeyHAXASEIMUDQVIP-UHFFFAOYSA-N
XLogP3.90
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine?
The IUPAC name of 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine (CID 158424616) is 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine?
The canonical SMILES for 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine is CC(C)=C1c2ccccc2-c2ccccc21.Nc1ncn[nH]1.
What is the InChIKey of 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine?
The InChIKey is HAXASEIMUDQVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C2H4N4/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;3-2-4-1-5-6-2/h3-10H,1-2H3;1H,(H3,3,4,5,6).
What are the key properties of 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine?
9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine has a molecular weight of 290.37 g/mol, XLogP of 3.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-ylidenefluorene;1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 158424616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).