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

C9H15N5O2 — CID 61003544

IUPAC4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1cnnc1CNC(=O)C1CC(O)CN1
InChIInChI=1S/C9H15N5O2/c1-14-5-12-13-8(14)4-11-9(16)7-2-6(15)3-10-7/h5-7,10,15H,2-4H2,1H3,(H,11,16)
InChIKeyYNELSQCORHITBK-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.85
Rot. Bonds3

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

4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 61003544) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID61003544
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1cnnc1CNC(=O)C1CC(O)CN1
InChIInChI=1S/C9H15N5O2/c1-14-5-12-13-8(14)4-11-9(16)7-2-6(15)3-10-7/h5-7,10,15H,2-4H2,1H3,(H,11,16)
InChIKeyYNELSQCORHITBK-UHFFFAOYSA-N
XLogP-1.85
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 61003544) is 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is Cn1cnnc1CNC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is YNELSQCORHITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14-5-12-13-8(14)4-11-9(16)7-2-6(15)3-10-7/h5-7,10,15H,2-4H2,1H3,(H,11,16).
What are the key properties of 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61003544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).