3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol

C15H10N4O — CID 135879715

IUPAC3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NN=2
InChIInChI=1S/C15H10N4O/c20-15-11(10-3-1-2-4-12(10)16-15)7-9-5-6-13-14(8-9)18-19-17-13/h1-8,16,20H/b9-7+
InChIKeyPCUASNKCZAYDCL-VQHVLOKHSA-N
MW262.27 g/mol
LogP2.33
Rot. Bonds1

About 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol

3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol (PubChem CID 135879715) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol
PubChem CID135879715
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NN=2
InChIInChI=1S/C15H10N4O/c20-15-11(10-3-1-2-4-12(10)16-15)7-9-5-6-13-14(8-9)18-19-17-13/h1-8,16,20H/b9-7+
InChIKeyPCUASNKCZAYDCL-VQHVLOKHSA-N
XLogP2.33
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol (CID 135879715) is 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=c1\ccc2c(c1)N=NN=2.
What is the InChIKey of 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol?
The InChIKey is PCUASNKCZAYDCL-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H10N4O/c20-15-11(10-3-1-2-4-12(10)16-15)7-9-5-6-13-14(8-9)18-19-17-13/h1-8,16,20H/b9-7+.
What are the key properties of 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol?
3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol has a molecular weight of 262.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-benzotriazol-5-ylidenemethyl]-1H-indol-2-ol is sourced from PubChem (CID 135879715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).