9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol

C17H15N3O — CID 70902711

IUPAC9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol
SMILESCc1nc(-c2cccc3c2-c2ccccc2C3(C)O)n[nH]1
InChIInChI=1S/C17H15N3O/c1-10-18-16(20-19-10)12-7-5-9-14-15(12)11-6-3-4-8-13(11)17(14,2)21/h3-9,21H,1-2H3,(H,18,19,20)
InChIKeyASSYSOAWWZJKTL-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.02
Rot. Bonds1

About 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol

9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol (PubChem CID 70902711) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol.

Molecular Properties

Compound Name9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol
PubChem CID70902711
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol
SMILESCc1nc(-c2cccc3c2-c2ccccc2C3(C)O)n[nH]1
InChIInChI=1S/C17H15N3O/c1-10-18-16(20-19-10)12-7-5-9-14-15(12)11-6-3-4-8-13(11)17(14,2)21/h3-9,21H,1-2H3,(H,18,19,20)
InChIKeyASSYSOAWWZJKTL-UHFFFAOYSA-N
XLogP3.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol?
The IUPAC name of 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol (CID 70902711) is 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol.
What is the SMILES notation for 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol?
The canonical SMILES for 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol is Cc1nc(-c2cccc3c2-c2ccccc2C3(C)O)n[nH]1.
What is the InChIKey of 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol?
The InChIKey is ASSYSOAWWZJKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-10-18-16(20-19-10)12-7-5-9-14-15(12)11-6-3-4-8-13(11)17(14,2)21/h3-9,21H,1-2H3,(H,18,19,20).
What are the key properties of 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol?
9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol has a molecular weight of 277.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)fluoren-9-ol is sourced from PubChem (CID 70902711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).