[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol

C13H24N4O — CID 82211038

IUPAC[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
SMILESCC(C)Cc1c(CO)nnn1CCN1CCCC1
InChIInChI=1S/C13H24N4O/c1-11(2)9-13-12(10-18)14-15-17(13)8-7-16-5-3-4-6-16/h11,18H,3-10H2,1-2H3
InChIKeyOCZXXWJHSTXCRB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.06
Rot. Bonds6

About [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol

[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol (PubChem CID 82211038) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
PubChem CID82211038
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
SMILESCC(C)Cc1c(CO)nnn1CCN1CCCC1
InChIInChI=1S/C13H24N4O/c1-11(2)9-13-12(10-18)14-15-17(13)8-7-16-5-3-4-6-16/h11,18H,3-10H2,1-2H3
InChIKeyOCZXXWJHSTXCRB-UHFFFAOYSA-N
XLogP1.06
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol?
The IUPAC name of [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol (CID 82211038) is [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol is CC(C)Cc1c(CO)nnn1CCN1CCCC1.
What is the InChIKey of [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol?
The InChIKey is OCZXXWJHSTXCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)9-13-12(10-18)14-15-17(13)8-7-16-5-3-4-6-16/h11,18H,3-10H2,1-2H3.
What are the key properties of [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol?
[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol has a molecular weight of 252.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82211038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).