5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol

C10H12N4O2 — CID 930948

IUPAC5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
SMILESCOc1ccc(CNn2cnnc2)c(O)c1
InChIInChI=1S/C10H12N4O2/c1-16-9-3-2-8(10(15)4-9)5-13-14-6-11-12-7-14/h2-4,6-7,13,15H,5H2,1H3
InChIKeyQSHJOIJAULQHDE-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.74
Rot. Bonds4

About 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol

5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol (PubChem CID 930948) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
PubChem CID930948
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
SMILESCOc1ccc(CNn2cnnc2)c(O)c1
InChIInChI=1S/C10H12N4O2/c1-16-9-3-2-8(10(15)4-9)5-13-14-6-11-12-7-14/h2-4,6-7,13,15H,5H2,1H3
InChIKeyQSHJOIJAULQHDE-UHFFFAOYSA-N
XLogP0.74
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-[(piperidin-1-ylamino)methyl]phenol
CID 83006608
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
CID 165478717
5-methoxy-2-[(3-methylsulfonylpropylamino)methyl]phenol
CID 61262890
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The IUPAC name of 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol (CID 930948) is 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The canonical SMILES for 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol is COc1ccc(CNn2cnnc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The InChIKey is QSHJOIJAULQHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-16-9-3-2-8(10(15)4-9)5-13-14-6-11-12-7-14/h2-4,6-7,13,15H,5H2,1H3.
What are the key properties of 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol has a molecular weight of 220.23 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(1,2,4-triazol-4-ylamino)methyl]phenol is sourced from PubChem (CID 930948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).