2-[(5-amino-2H-triazol-4-yl)methoxy]phenol

C9H10N4O2 — CID 117214154

IUPAC2-[(5-amino-2H-triazol-4-yl)methoxy]phenol
SMILESNc1n[nH]nc1COc1ccccc1O
InChIInChI=1S/C9H10N4O2/c10-9-6(11-13-12-9)5-15-8-4-2-1-3-7(8)14/h1-4,14H,5H2,(H3,10,11,12,13)
InChIKeyYLAWJWSNSLORIQ-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.67
Rot. Bonds3

About 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol

2-[(5-amino-2H-triazol-4-yl)methoxy]phenol (PubChem CID 117214154) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(5-amino-2H-triazol-4-yl)methoxy]phenol
PubChem CID117214154
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-[(5-amino-2H-triazol-4-yl)methoxy]phenol
SMILESNc1n[nH]nc1COc1ccccc1O
InChIInChI=1S/C9H10N4O2/c10-9-6(11-13-12-9)5-15-8-4-2-1-3-7(8)14/h1-4,14H,5H2,(H3,10,11,12,13)
InChIKeyYLAWJWSNSLORIQ-UHFFFAOYSA-N
XLogP0.67
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1H-imidazol-5-yl)methoxy]phenol
CID 117214152
2-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469613
2-[(5-amino-1H-imidazol-2-yl)methoxy]phenol
CID 117187252
(2-hydroxyphenyl) 5-amino-2H-triazole-4-carboxylate
CID 117213949
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
2-[(3-amino-4-pyridinyl)methoxy]phenol
CID 105469628
2-[[4-(aminomethyl)phenyl]methoxy]phenol
CID 105486618
2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol
CID 175090526
2-(2-hydroxyphenoxy)acetamide
CID 786426
5-[(2-hydroxyphenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 117215961
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351
2-[(5-amino-1H-indol-3-yl)methoxy]phenol
CID 117175069

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol?
The IUPAC name of 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol (CID 117214154) is 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol.
What is the SMILES notation for 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol?
The canonical SMILES for 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol is Nc1n[nH]nc1COc1ccccc1O.
What is the InChIKey of 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol?
The InChIKey is YLAWJWSNSLORIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-9-6(11-13-12-9)5-15-8-4-2-1-3-7(8)14/h1-4,14H,5H2,(H3,10,11,12,13).
What are the key properties of 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol?
2-[(5-amino-2H-triazol-4-yl)methoxy]phenol has a molecular weight of 206.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2H-triazol-4-yl)methoxy]phenol is sourced from PubChem (CID 117214154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).