2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol

C10H12N4O — CID 123630080

IUPAC2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol
SMILESCc1nc(Nc2cccc(O)c2C)n[nH]1
InChIInChI=1S/C10H12N4O/c1-6-8(4-3-5-9(6)15)12-10-11-7(2)13-14-10/h3-5,15H,1-2H3,(H2,11,12,13,14)
InChIKeyXKYQAVGKGXDUAW-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.87
Rot. Bonds2

About 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol

2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol (PubChem CID 123630080) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol
PubChem CID123630080
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol
SMILESCc1nc(Nc2cccc(O)c2C)n[nH]1
InChIInChI=1S/C10H12N4O/c1-6-8(4-3-5-9(6)15)12-10-11-7(2)13-14-10/h3-5,15H,1-2H3,(H2,11,12,13,14)
InChIKeyXKYQAVGKGXDUAW-UHFFFAOYSA-N
XLogP1.87
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-{[3-(trifluoromethyl)phenyl]amino}-4H-1,2,4-triazol-3-yl-phenol
CID 136350308
2-methyl-4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenol
CID 137315678
5-[5-Amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-4-fluoro-2-methylphenol
CID 159666448
2,2,2-trifluoro-N-[2-(2-fluoro-5-hydroxy-4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]acetamide
CID 159887502
3-[[5-(3,3-difluorocyclobutyl)-1H-1,2,4-triazol-3-yl]amino]phenol
CID 167895911
4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol
CID 89567915
3-[(5-Amino-4-methyl-1,2,4-triazol-3-yl)amino]-2-methylphenol
CID 123682026
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)-methylamino]-2-methylphenol
CID 123797406
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)amino]-2-methylphenol
CID 123967541
3-amino-2-(5-nitro-1H-1,2,4-triazol-3-yl)phenol
CID 135774047
5-amino-2-(5-nitro-1H-1,2,4-triazol-3-yl)phenol
CID 135800718
4-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)phenol
CID 136074423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol?
The IUPAC name of 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol (CID 123630080) is 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol?
The canonical SMILES for 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol is Cc1nc(Nc2cccc(O)c2C)n[nH]1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol?
The InChIKey is XKYQAVGKGXDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-8(4-3-5-9(6)15)12-10-11-7(2)13-14-10/h3-5,15H,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol?
2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol has a molecular weight of 204.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]phenol is sourced from PubChem (CID 123630080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).