2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol

C12H16N4O2 — CID 114764440

IUPAC2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol
SMILESCCCn1ncnc1COc1cccc(O)c1N
InChIInChI=1S/C12H16N4O2/c1-2-6-16-11(14-8-15-16)7-18-10-5-3-4-9(17)12(10)13/h3-5,8,17H,2,6-7,13H2,1H3
InChIKeyRUSBNLCTLRWHIC-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.55
Rot. Bonds5

About 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol

2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol (PubChem CID 114764440) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol
PubChem CID114764440
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol
SMILESCCCn1ncnc1COc1cccc(O)c1N
InChIInChI=1S/C12H16N4O2/c1-2-6-16-11(14-8-15-16)7-18-10-5-3-4-9(17)12(10)13/h3-5,8,17H,2,6-7,13H2,1H3
InChIKeyRUSBNLCTLRWHIC-UHFFFAOYSA-N
XLogP1.55
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 81499921
1-(2-amino-3-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 107469348
3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 107873570
methyl 4-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzoate
CID 106955064
N-[1-[3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77098693
(1R)-1-[5-bromo-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013815
N-[[3-chloro-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115952991
5-[[2-(bromomethyl)-6-chlorophenoxy]methyl]-1-propyl-1,2,4-triazole
CID 112613782
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate
CID 122155317
2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol
CID 114764441
5-[(4-butan-2-ylphenoxy)methyl]-1-propyl-1,2,4-triazole
CID 107669021

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol?
The IUPAC name of 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol (CID 114764440) is 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol.
What is the SMILES notation for 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol?
The canonical SMILES for 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol is CCCn1ncnc1COc1cccc(O)c1N.
What is the InChIKey of 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol?
The InChIKey is RUSBNLCTLRWHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-6-16-11(14-8-15-16)7-18-10-5-3-4-9(17)12(10)13/h3-5,8,17H,2,6-7,13H2,1H3.
What are the key properties of 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol?
2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol has a molecular weight of 248.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenol is sourced from PubChem (CID 114764440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).