3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol

C12H22N4O — CID 82211180

IUPAC3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol
SMILESCc1c(CCCO)nnn1CCN1CCCC1
InChIInChI=1S/C12H22N4O/c1-11-12(5-4-10-17)13-14-16(11)9-8-15-6-2-3-7-15/h17H,2-10H2,1H3
InChIKeyHMFOHVHGQRDXAZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.61
Rot. Bonds6

About 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol

3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol (PubChem CID 82211180) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol
PubChem CID82211180
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol
SMILESCc1c(CCCO)nnn1CCN1CCCC1
InChIInChI=1S/C12H22N4O/c1-11-12(5-4-10-17)13-14-16(11)9-8-15-6-2-3-7-15/h17H,2-10H2,1H3
InChIKeyHMFOHVHGQRDXAZ-UHFFFAOYSA-N
XLogP0.61
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-methyl-1-(2-methylprop-2-enyl)triazol-4-yl]propan-1-ol
CID 82210946
2-(1-butyl-5-methyltriazol-4-yl)ethanol
CID 82205579
5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid
CID 62054566
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 82211172
3-[5-methyl-1-[4-(4-methylphenoxy)butyl]triazol-4-yl]propan-1-ol
CID 82209802
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 82211016
4-butyl-5-methyl-1-propyltriazole
CID 69381876
[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
CID 82211038
2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate
CID 103112836
2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate
CID 103112156
[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol
CID 115013739
[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 82211136

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol (CID 82211180) is 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol is Cc1c(CCCO)nnn1CCN1CCCC1.
What is the InChIKey of 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol?
The InChIKey is HMFOHVHGQRDXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11-12(5-4-10-17)13-14-16(11)9-8-15-6-2-3-7-15/h17H,2-10H2,1H3.
What are the key properties of 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol?
3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 82211180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).