4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol

C16H13N5O — CID 5271133

IUPAC4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol
SMILESCn1c2ccccc2c2nnc(Nc3ccc(O)cc3)nc21
InChIInChI=1S/C16H13N5O/c1-21-13-5-3-2-4-12(13)14-15(21)18-16(20-19-14)17-10-6-8-11(22)9-7-10/h2-9,22H,1H3,(H,17,18,20)
InChIKeyKRTBNUNZXHZWNI-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.97
Rot. Bonds2

About 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol

4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol (PubChem CID 5271133) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol.

Molecular Properties

Compound Name4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol
PubChem CID5271133
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol
SMILESCn1c2ccccc2c2nnc(Nc3ccc(O)cc3)nc21
InChIInChI=1S/C16H13N5O/c1-21-13-5-3-2-4-12(13)14-15(21)18-16(20-19-14)17-10-6-8-11(22)9-7-10/h2-9,22H,1H3,(H,17,18,20)
InChIKeyKRTBNUNZXHZWNI-UHFFFAOYSA-N
XLogP2.97
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol?
The IUPAC name of 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol (CID 5271133) is 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol.
What is the SMILES notation for 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol?
The canonical SMILES for 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol is Cn1c2ccccc2c2nnc(Nc3ccc(O)cc3)nc21.
What is the InChIKey of 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol?
The InChIKey is KRTBNUNZXHZWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-21-13-5-3-2-4-12(13)14-15(21)18-16(20-19-14)17-10-6-8-11(22)9-7-10/h2-9,22H,1H3,(H,17,18,20).
What are the key properties of 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol?
4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol has a molecular weight of 291.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]phenol is sourced from PubChem (CID 5271133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).