1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole

C12H20N6O — CID 70907427

IUPAC1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole
SMILESCC(C)n1cc(COCc2cn(C(C)C)nn2)nn1
InChIInChI=1S/C12H20N6O/c1-9(2)17-5-11(13-15-17)7-19-8-12-6-18(10(3)4)16-14-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyRXIINCAQZJPJRG-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.75
Rot. Bonds6

About 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole

1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole (PubChem CID 70907427) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole.

Molecular Properties

Compound Name1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole
PubChem CID70907427
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole
SMILESCC(C)n1cc(COCc2cn(C(C)C)nn2)nn1
InChIInChI=1S/C12H20N6O/c1-9(2)17-5-11(13-15-17)7-19-8-12-6-18(10(3)4)16-14-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyRXIINCAQZJPJRG-UHFFFAOYSA-N
XLogP1.75
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole?
The IUPAC name of 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole (CID 70907427) is 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole.
What is the SMILES notation for 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole?
The canonical SMILES for 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole is CC(C)n1cc(COCc2cn(C(C)C)nn2)nn1.
What is the InChIKey of 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole?
The InChIKey is RXIINCAQZJPJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-9(2)17-5-11(13-15-17)7-19-8-12-6-18(10(3)4)16-14-12/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole?
1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole has a molecular weight of 264.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[(1-propan-2-yltriazol-4-yl)methoxymethyl]triazole is sourced from PubChem (CID 70907427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).