2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol

C10H12N4O2 — CID 950750

IUPAC2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol
SMILESCOc1cccc(CNn2cnnc2)c1O
InChIInChI=1S/C10H12N4O2/c1-16-9-4-2-3-8(10(9)15)5-13-14-6-11-12-7-14/h2-4,6-7,13,15H,5H2,1H3
InChIKeyIDPDTGVERJADQS-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.74
Rot. Bonds4

About 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol

2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol (PubChem CID 950750) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol
PubChem CID950750
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol
SMILESCOc1cccc(CNn2cnnc2)c1O
InChIInChI=1S/C10H12N4O2/c1-16-9-4-2-3-8(10(9)15)5-13-14-6-11-12-7-14/h2-4,6-7,13,15H,5H2,1H3
InChIKeyIDPDTGVERJADQS-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'}

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Related Compounds

5-Methoxy-2-([1,2,4]triazol-4-ylaminomethyl)-phenol
CID 930948
N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
CID 2193446
2-methoxy-4-(1H-tetrazol-1-ylmethyl)phenol
CID 690246
[2-(4-Fluoro-benzyloxy)-3-methoxy-benzyl]-[1,2,4]triazol-4-yl-amine
CID 652616
2-[(4H-1,2,4-triazol-4-ylamino)methyl]phenol
CID 661455
(2-Allyloxy-3-ethoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2212990
(2-Allyloxy-3-methoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2215585
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
CID 667349
N-[2-(benzyloxy)-3-ethoxybenzyl]-4H-1,2,4-triazol-4-amine
CID 892189
N-(3,4-dimethoxybenzyl)-1H-1,2,4-triazol-5-amine
CID 592204
(E)-2-(((4H-1,2,4-triazol-4-yl)imino)methyl)-6-methoxyphenol
CID 135578243
2-(((4h-1,2,4-Triazol-3-yl)imino)methyl)-6-methoxyphenol
CID 3808113

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol (CID 950750) is 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol is COc1cccc(CNn2cnnc2)c1O.
What is the InChIKey of 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol?
The InChIKey is IDPDTGVERJADQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-16-9-4-2-3-8(10(9)15)5-13-14-6-11-12-7-14/h2-4,6-7,13,15H,5H2,1H3.
What are the key properties of 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol?
2-methoxy-6-[(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 2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol is sourced from PubChem (CID 950750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).