4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

C8H13N5O2 — CID 60983162

IUPAC4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CC(O)CN1
InChIInChI=1S/C8H13N5O2/c14-5-1-6(9-2-5)8(15)10-3-7-11-4-12-13-7/h4-6,9,14H,1-3H2,(H,10,15)(H,11,12,13)
InChIKeyDUUHRCYTOKQSKR-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.86
Rot. Bonds3

About 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 60983162) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID60983162
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ncn[nH]1)C1CC(O)CN1
InChIInChI=1S/C8H13N5O2/c14-5-1-6(9-2-5)8(15)10-3-7-11-4-12-13-7/h4-6,9,14H,1-3H2,(H,10,15)(H,11,12,13)
InChIKeyDUUHRCYTOKQSKR-UHFFFAOYSA-N
XLogP-1.86
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 43706351
4-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 55202292
(4-Hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 60962537
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 60982528
5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 60982659
4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61003544
(2S)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 61163836
4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 61214072
4-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61214220
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 61215351
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
CID 62792303
4-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 63330594

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 60983162) is 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCc1ncn[nH]1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is DUUHRCYTOKQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c14-5-1-6(9-2-5)8(15)10-3-7-11-4-12-13-7/h4-6,9,14H,1-3H2,(H,10,15)(H,11,12,13).
What are the key properties of 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.86, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60983162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).