2-[3-(methoxymethyl)phenyl]triazol-4-amine

C10H12N4O — CID 116799278

IUPAC2-[3-(methoxymethyl)phenyl]triazol-4-amine
SMILESCOCc1cccc(-n2ncc(N)n2)c1
InChIInChI=1S/C10H12N4O/c1-15-7-8-3-2-4-9(5-8)14-12-6-10(11)13-14/h2-6H,7H2,1H3,(H2,11,13)
InChIKeyKNXRKURXOOTXHW-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.00
Rot. Bonds3

About 2-[3-(methoxymethyl)phenyl]triazol-4-amine

2-[3-(methoxymethyl)phenyl]triazol-4-amine (PubChem CID 116799278) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenyl]triazol-4-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenyl]triazol-4-amine
PubChem CID116799278
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[3-(methoxymethyl)phenyl]triazol-4-amine
SMILESCOCc1cccc(-n2ncc(N)n2)c1
InChIInChI=1S/C10H12N4O/c1-15-7-8-3-2-4-9(5-8)14-12-6-10(11)13-14/h2-6H,7H2,1H3,(H2,11,13)
InChIKeyKNXRKURXOOTXHW-UHFFFAOYSA-N
XLogP1.00
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)triazol-4-amine
CID 82404083
1-[3-(methoxymethyl)phenyl]imidazo[4,5-c]pyridin-2-amine
CID 79295531
6-[3-(methoxymethyl)phenyl]-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79296857
5-(chloromethyl)-1-[3-(methoxymethyl)phenyl]triazole
CID 107450905
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine
CID 150830906
1-[3-(methoxymethyl)phenyl]-N-methylpiperidin-4-amine
CID 54965277
4-[1-[3-(methoxymethyl)phenyl]triazol-4-yl]butan-1-amine
CID 104539015
2-(4-tert-butylphenyl)triazol-4-amine
CID 116799226

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenyl]triazol-4-amine?
The IUPAC name of 2-[3-(methoxymethyl)phenyl]triazol-4-amine (CID 116799278) is 2-[3-(methoxymethyl)phenyl]triazol-4-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)phenyl]triazol-4-amine?
The canonical SMILES for 2-[3-(methoxymethyl)phenyl]triazol-4-amine is COCc1cccc(-n2ncc(N)n2)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenyl]triazol-4-amine?
The InChIKey is KNXRKURXOOTXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-15-7-8-3-2-4-9(5-8)14-12-6-10(11)13-14/h2-6H,7H2,1H3,(H2,11,13).
What are the key properties of 2-[3-(methoxymethyl)phenyl]triazol-4-amine?
2-[3-(methoxymethyl)phenyl]triazol-4-amine has a molecular weight of 204.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenyl]triazol-4-amine is sourced from PubChem (CID 116799278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).