2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol

C14H14N4O — CID 10198953

IUPAC2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol
SMILESCc1ccc(Nc2ncnn3c(C)ccc23)cc1O
InChIInChI=1S/C14H14N4O/c1-9-3-5-11(7-13(9)19)17-14-12-6-4-10(2)18(12)16-8-15-14/h3-8,19H,1-2H3,(H,15,16,17)
InChIKeyQFAYCQKPUDKQJB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.80
Rot. Bonds2

About 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol

2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol (PubChem CID 10198953) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol.

Molecular Properties

Compound Name2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol
PubChem CID10198953
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol
SMILESCc1ccc(Nc2ncnn3c(C)ccc23)cc1O
InChIInChI=1S/C14H14N4O/c1-9-3-5-11(7-13(9)19)17-14-12-6-4-10(2)18(12)16-8-15-14/h3-8,19H,1-2H3,(H,15,16,17)
InChIKeyQFAYCQKPUDKQJB-UHFFFAOYSA-N
XLogP2.80
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol 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 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol?
The IUPAC name of 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol (CID 10198953) is 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol.
What is the SMILES notation for 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol?
The canonical SMILES for 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol is Cc1ccc(Nc2ncnn3c(C)ccc23)cc1O.
What is the InChIKey of 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol?
The InChIKey is QFAYCQKPUDKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-3-5-11(7-13(9)19)17-14-12-6-4-10(2)18(12)16-8-15-14/h3-8,19H,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol?
2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol has a molecular weight of 254.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(7-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]phenol is sourced from PubChem (CID 10198953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).