3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole

C14H15N5O — CID 18726721

IUPAC3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole
SMILESCOCc1nnc(-c2cn(-c3ccccc3)cn2)n1C
InChIInChI=1S/C14H15N5O/c1-18-13(9-20-2)16-17-14(18)12-8-19(10-15-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyUURLKEUTHZZIIZ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.81
Rot. Bonds4

About 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole

3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole (PubChem CID 18726721) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole
PubChem CID18726721
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole
SMILESCOCc1nnc(-c2cn(-c3ccccc3)cn2)n1C
InChIInChI=1S/C14H15N5O/c1-18-13(9-20-2)16-17-14(18)12-8-19(10-15-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3
InChIKeyUURLKEUTHZZIIZ-UHFFFAOYSA-N
XLogP1.81
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole?
The IUPAC name of 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole (CID 18726721) is 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole is COCc1nnc(-c2cn(-c3ccccc3)cn2)n1C.
What is the InChIKey of 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole?
The InChIKey is UURLKEUTHZZIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18-13(9-20-2)16-17-14(18)12-8-19(10-15-12)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole?
3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole has a molecular weight of 269.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4-methyl-5-(1-phenylimidazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 18726721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).