[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol

C10H19N3O — CID 82208557

IUPAC[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1CC(C)C
InChIInChI=1S/C10H19N3O/c1-4-5-10-9(7-14)11-12-13(10)6-8(2)3/h8,14H,4-7H2,1-3H3
InChIKeyBIVKWSXWWWEEFZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.38
Rot. Bonds5

About [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol

[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol (PubChem CID 82208557) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
PubChem CID82208557
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1CC(C)C
InChIInChI=1S/C10H19N3O/c1-4-5-10-9(7-14)11-12-13(10)6-8(2)3/h8,14H,4-7H2,1-3H3
InChIKeyBIVKWSXWWWEEFZ-UHFFFAOYSA-N
XLogP1.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol?
The IUPAC name of [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol (CID 82208557) is [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol?
The canonical SMILES for [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol is CCCc1c(CO)nnn1CC(C)C.
What is the InChIKey of [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol?
The InChIKey is BIVKWSXWWWEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-5-10-9(7-14)11-12-13(10)6-8(2)3/h8,14H,4-7H2,1-3H3.
What are the key properties of [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol?
[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol has a molecular weight of 197.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol is sourced from PubChem (CID 82208557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).