1-(1,3-dimethoxypropan-2-yl)triazole

C7H13N3O2 — CID 70615679

IUPAC1-(1,3-dimethoxypropan-2-yl)triazole
SMILESCOCC(COC)n1ccnn1
InChIInChI=1S/C7H13N3O2/c1-11-5-7(6-12-2)10-4-3-8-9-10/h3-4,7H,5-6H2,1-2H3
InChIKeyZHVUEYREUZAMNR-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.11
Rot. Bonds5

About 1-(1,3-dimethoxypropan-2-yl)triazole

1-(1,3-dimethoxypropan-2-yl)triazole (PubChem CID 70615679) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(1,3-dimethoxypropan-2-yl)triazole.

Molecular Properties

Compound Name1-(1,3-dimethoxypropan-2-yl)triazole
PubChem CID70615679
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-(1,3-dimethoxypropan-2-yl)triazole
SMILESCOCC(COC)n1ccnn1
InChIInChI=1S/C7H13N3O2/c1-11-5-7(6-12-2)10-4-3-8-9-10/h3-4,7H,5-6H2,1-2H3
InChIKeyZHVUEYREUZAMNR-UHFFFAOYSA-N
XLogP0.11
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethoxypropan-2-yl)triazole?
The IUPAC name of 1-(1,3-dimethoxypropan-2-yl)triazole (CID 70615679) is 1-(1,3-dimethoxypropan-2-yl)triazole.
What is the SMILES notation for 1-(1,3-dimethoxypropan-2-yl)triazole?
The canonical SMILES for 1-(1,3-dimethoxypropan-2-yl)triazole is COCC(COC)n1ccnn1.
What is the InChIKey of 1-(1,3-dimethoxypropan-2-yl)triazole?
The InChIKey is ZHVUEYREUZAMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-11-5-7(6-12-2)10-4-3-8-9-10/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(1,3-dimethoxypropan-2-yl)triazole?
1-(1,3-dimethoxypropan-2-yl)triazole has a molecular weight of 171.20 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethoxypropan-2-yl)triazole is sourced from PubChem (CID 70615679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).