1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid

C10H16N4O2 — CID 102549144

IUPAC1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid
SMILESCC(Cn1cc(C(=O)O)nn1)N1CCCC1
InChIInChI=1S/C10H16N4O2/c1-8(13-4-2-3-5-13)6-14-7-9(10(15)16)11-12-14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeySWKWKRBINKGFDO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.46
Rot. Bonds4

About 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid

1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid (PubChem CID 102549144) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid
PubChem CID102549144
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid
SMILESCC(Cn1cc(C(=O)O)nn1)N1CCCC1
InChIInChI=1S/C10H16N4O2/c1-8(13-4-2-3-5-13)6-14-7-9(10(15)16)11-12-14/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeySWKWKRBINKGFDO-UHFFFAOYSA-N
XLogP0.46
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(azepan-1-yl)propyl]triazole-4-carboxylic acid
CID 102549148
1-(2-morpholin-4-ylpropyl)triazole-4-carboxylic acid
CID 102549146
1-(2-methylbutyl)triazole-4-carboxylic acid
CID 62103315
1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid
CID 103161001
1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933
1-(2-ethylhexyl)triazole-4-carboxylic acid
CID 62060083
1-[2-(3-methylbutylsulfinyl)ethyl]triazole-4-carboxylic acid
CID 107753399
2-methyl-1-[1-(2-methylpropyl)triazol-4-yl]propan-1-one
CID 130383213
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 43592179
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[2-(propan-2-ylsulfamoylamino)ethyl]triazole-4-carboxylic acid
CID 114806464

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid (CID 102549144) is 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid is CC(Cn1cc(C(=O)O)nn1)N1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid?
The InChIKey is SWKWKRBINKGFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8(13-4-2-3-5-13)6-14-7-9(10(15)16)11-12-14/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid?
1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid is sourced from PubChem (CID 102549144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).