5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid

C7H10N4O2 — CID 165464255

IUPAC5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1C1CCCN1
InChIInChI=1S/C7H10N4O2/c12-7(13)6-5(9-11-10-6)4-2-1-3-8-4/h4,8H,1-3H2,(H,12,13)(H,9,10,11)
InChIKeyLBMPLGVQBYMLHN-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.07
Rot. Bonds2

About 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid

5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid (PubChem CID 165464255) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid
PubChem CID165464255
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1C1CCCN1
InChIInChI=1S/C7H10N4O2/c12-7(13)6-5(9-11-10-6)4-2-1-3-8-4/h4,8H,1-3H2,(H,12,13)(H,9,10,11)
InChIKeyLBMPLGVQBYMLHN-UHFFFAOYSA-N
XLogP-0.07
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclobutyl-2H-triazole-4-carboxylic acid
CID 105433344
5-piperidin-4-yl-2H-triazole-4-carboxylic acid
CID 103123476
5-ethoxycarbonyl-4-[(2S)-pyrrolidin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 53468888
5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
CID 125449320
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
2-(5-methyl-4-pyrrolidin-2-yl-1,3-oxazol-2-yl)acetic acid
CID 115026802
4-[6-[(2R)-pyrrolidin-2-yl]-3-pyridinyl]benzoic acid
CID 124993884
3-pyrrolidin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984200
N-[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]-5-pyrrolidin-2-yl-2H-triazole-4-carboxamide
CID 166270390
3-piperidin-2-yl-1,2-oxazole-4-carboxylic acid
CID 102537895
3-pyrrolidin-2-ylpyridine-4-carboxylic acid
CID 55295568
6-ethyl-2-pyrrolidin-2-ylquinoline-4-carboxylic acid
CID 84641479

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid (CID 165464255) is 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid is O=C(O)c1n[nH]nc1C1CCCN1.
What is the InChIKey of 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid?
The InChIKey is LBMPLGVQBYMLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-7(13)6-5(9-11-10-6)4-2-1-3-8-4/h4,8H,1-3H2,(H,12,13)(H,9,10,11).
What are the key properties of 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid?
5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 165464255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).