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

C10H12N4O — CID 1079724

IUPAC4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNn2cnnc2)c1
InChIInChI=1S/C10H12N4O/c1-8-2-3-10(15)9(4-8)5-13-14-6-11-12-7-14/h2-4,6-7,13,15H,5H2,1H3
InChIKeySUTGFXIBJROFQY-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.04
Rot. Bonds3

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

4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol (PubChem CID 1079724) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
PubChem CID1079724
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNn2cnnc2)c1
InChIInChI=1S/C10H12N4O/c1-8-2-3-10(15)9(4-8)5-13-14-6-11-12-7-14/h2-4,6-7,13,15H,5H2,1H3
InChIKeySUTGFXIBJROFQY-UHFFFAOYSA-N
XLogP1.04
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(((4H-1,2,4-triazol-4-yl)amino)methyl)-4-chlorophenol
CID 1079722
2-Allyl-6-([1,2,4]triazol-4-ylaminomethyl)-phenol
CID 929788
5-Methoxy-2-([1,2,4]triazol-4-ylaminomethyl)-phenol
CID 930948
4-[3-(1,2,4-Triazol-1-ylmethyl)phenyl]phenol
CID 23585512
4-Chloro-2-[1-(1,2,4-triazol-4-ylamino)ethyl]phenol
CID 2947697
2-[(4H-1,2,4-triazol-4-ylamino)methyl]phenol
CID 661455
4-Bromo-2-[(1,2,4-triazol-4-ylamino)methyl]phenol
CID 661648
1-([1,2,4]Triazol-4-ylaminomethyl)-naphthalen-2-ol
CID 1079723
(E)-2-(((1H-1,2,4-triazol-3-yl)imino)methyl)-6-allylphenol
CID 135449552
2-((1E)-2-(1H-1,2,4-triazol-3-yl)-2-azavinyl)-4-methylphenol
CID 135698959
N-(2-hydroxybenzyl)tetrazole
CID 129877182
2-prop-2-enyl-6-(1H-1,2,4-triazol-5-yliminomethyl)phenol
CID 658688

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The IUPAC name of 4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol (CID 1079724) is 4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol is Cc1ccc(O)c(CNn2cnnc2)c1.
What is the InChIKey of 4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The InChIKey is SUTGFXIBJROFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-8-2-3-10(15)9(4-8)5-13-14-6-11-12-7-14/h2-4,6-7,13,15H,5H2,1H3.
What are the key properties of 4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol?
4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol has a molecular weight of 204.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1,2,4-triazol-4-ylamino)methyl]phenol is sourced from PubChem (CID 1079724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).