1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole

C13H25N3O — CID 130266010

IUPAC1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole
SMILESCC(C)CCCn1cc(COC(C)(C)C)nn1
InChIInChI=1S/C13H25N3O/c1-11(2)7-6-8-16-9-12(14-15-16)10-17-13(3,4)5/h9,11H,6-8,10H2,1-5H3
InChIKeyZMNLKAXBNXTXKM-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.03
Rot. Bonds6

About 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole

1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole (PubChem CID 130266010) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole
PubChem CID130266010
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole
SMILESCC(C)CCCn1cc(COC(C)(C)C)nn1
InChIInChI=1S/C13H25N3O/c1-11(2)7-6-8-16-9-12(14-15-16)10-17-13(3,4)5/h9,11H,6-8,10H2,1-5H3
InChIKeyZMNLKAXBNXTXKM-UHFFFAOYSA-N
XLogP3.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole?
The IUPAC name of 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole (CID 130266010) is 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole.
What is the SMILES notation for 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole?
The canonical SMILES for 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole is CC(C)CCCn1cc(COC(C)(C)C)nn1.
What is the InChIKey of 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole?
The InChIKey is ZMNLKAXBNXTXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)7-6-8-16-9-12(14-15-16)10-17-13(3,4)5/h9,11H,6-8,10H2,1-5H3.
What are the key properties of 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole?
1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole has a molecular weight of 239.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-[(2-methylpropan-2-yl)oxymethyl]triazole is sourced from PubChem (CID 130266010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).