4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

C10H17N5O2 — CID 80682609

IUPAC4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCn1cnc(CCNC(=O)C2CC(O)CN2)n1
InChIInChI=1S/C10H17N5O2/c1-15-6-13-9(14-15)2-3-11-10(17)8-4-7(16)5-12-8/h6-8,12,16H,2-5H2,1H3,(H,11,17)
InChIKeyDTWFPFPNHAZKTH-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.80
Rot. Bonds4

About 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 80682609) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID80682609
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCn1cnc(CCNC(=O)C2CC(O)CN2)n1
InChIInChI=1S/C10H17N5O2/c1-15-6-13-9(14-15)2-3-11-10(17)8-4-7(16)5-12-8/h6-8,12,16H,2-5H2,1H3,(H,11,17)
InChIKeyDTWFPFPNHAZKTH-UHFFFAOYSA-N
XLogP-1.80
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 80682609) is 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is Cn1cnc(CCNC(=O)C2CC(O)CN2)n1.
What is the InChIKey of 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is DTWFPFPNHAZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15-6-13-9(14-15)2-3-11-10(17)8-4-7(16)5-12-8/h6-8,12,16H,2-5H2,1H3,(H,11,17).
What are the key properties of 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80682609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).