4-(phenylmethoxymethyl)-2H-triazole

C10H11N3O — CID 12990357

IUPAC4-(phenylmethoxymethyl)-2H-triazole
SMILESc1ccc(COCc2cn[nH]n2)cc1
InChIInChI=1S/C10H11N3O/c1-2-4-9(5-3-1)7-14-8-10-6-11-13-12-10/h1-6H,7-8H2,(H,11,12,13)
InChIKeyLFLLVPOPEKUFRV-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.52
Rot. Bonds4

About 4-(phenylmethoxymethyl)-2H-triazole

4-(phenylmethoxymethyl)-2H-triazole (PubChem CID 12990357) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)-2H-triazole.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)-2H-triazole
PubChem CID12990357
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(phenylmethoxymethyl)-2H-triazole
SMILESc1ccc(COCc2cn[nH]n2)cc1
InChIInChI=1S/C10H11N3O/c1-2-4-9(5-3-1)7-14-8-10-6-11-13-12-10/h1-6H,7-8H2,(H,11,12,13)
InChIKeyLFLLVPOPEKUFRV-UHFFFAOYSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66734377
CID 66734377
ethane;phenylmethoxymethylbenzene
CID 90943549
3-[4-(2H-triazol-4-ylmethoxymethyl)phenyl]-1,6-dihydro-1,2,4,5-tetrazine
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1-phenyl-N-(2H-triazol-4-ylmethyl)methanamine;hydrochloride
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dichloromethane;phenylmethoxymethylbenzene
CID 174530379
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
2,2-dibromoethoxymethylbenzene
CID 14668834
[5-(phenylmethoxymethyl)pyrazin-2-yl]hydrazine
CID 103061763
3-ethyl-5-(phenylmethoxymethyl)-1H-pyrazole
CID 174844882
acetic acid;phenylmethoxymethylbenzene
CID 175214238

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)-2H-triazole?
The IUPAC name of 4-(phenylmethoxymethyl)-2H-triazole (CID 12990357) is 4-(phenylmethoxymethyl)-2H-triazole.
What is the SMILES notation for 4-(phenylmethoxymethyl)-2H-triazole?
The canonical SMILES for 4-(phenylmethoxymethyl)-2H-triazole is c1ccc(COCc2cn[nH]n2)cc1.
What is the InChIKey of 4-(phenylmethoxymethyl)-2H-triazole?
The InChIKey is LFLLVPOPEKUFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-4-9(5-3-1)7-14-8-10-6-11-13-12-10/h1-6H,7-8H2,(H,11,12,13).
What are the key properties of 4-(phenylmethoxymethyl)-2H-triazole?
4-(phenylmethoxymethyl)-2H-triazole has a molecular weight of 189.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)-2H-triazole is sourced from PubChem (CID 12990357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).