9H-fluorene;1H-1,2,4-triazole

C15H13N3 — CID 157471509

IUPAC9H-fluorene;1H-1,2,4-triazole
SMILESc1ccc2c(c1)Cc1ccccc1-2.c1nc[nH]n1
InChIInChI=1S/C13H10.C2H3N3/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2-5-4-1/h1-8H,9H2;1-2H,(H,3,4,5)
InChIKeyBVBZXXNFANTAKL-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.06
Rot. Bonds

About 9H-fluorene;1H-1,2,4-triazole

9H-fluorene;1H-1,2,4-triazole (PubChem CID 157471509) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 9H-fluorene;1H-1,2,4-triazole.

Molecular Properties

Compound Name9H-fluorene;1H-1,2,4-triazole
PubChem CID157471509
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name9H-fluorene;1H-1,2,4-triazole
SMILESc1ccc2c(c1)Cc1ccccc1-2.c1nc[nH]n1
InChIInChI=1S/C13H10.C2H3N3/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2-5-4-1/h1-8H,9H2;1-2H,(H,3,4,5)
InChIKeyBVBZXXNFANTAKL-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;1H-1,2,4-triazole?
The IUPAC name of 9H-fluorene;1H-1,2,4-triazole (CID 157471509) is 9H-fluorene;1H-1,2,4-triazole.
What is the SMILES notation for 9H-fluorene;1H-1,2,4-triazole?
The canonical SMILES for 9H-fluorene;1H-1,2,4-triazole is c1ccc2c(c1)Cc1ccccc1-2.c1nc[nH]n1.
What is the InChIKey of 9H-fluorene;1H-1,2,4-triazole?
The InChIKey is BVBZXXNFANTAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C2H3N3/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-2-5-4-1/h1-8H,9H2;1-2H,(H,3,4,5).
What are the key properties of 9H-fluorene;1H-1,2,4-triazole?
9H-fluorene;1H-1,2,4-triazole has a molecular weight of 235.29 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;1H-1,2,4-triazole is sourced from PubChem (CID 157471509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).