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

C8H11N5O2 — CID 60982659

IUPAC5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2ncn[nH]2)N1
InChIInChI=1S/C8H11N5O2/c14-7-2-1-5(12-7)8(15)9-3-6-10-4-11-13-6/h4-5H,1-3H2,(H,9,15)(H,12,14)(H,10,11,13)
InChIKeyBLHLPKRVULXSLV-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.30
Rot. Bonds3

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

5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 60982659) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID60982659
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NCc2ncn[nH]2)N1
InChIInChI=1S/C8H11N5O2/c14-7-2-1-5(12-7)8(15)9-3-6-10-4-11-13-6/h4-5H,1-3H2,(H,9,15)(H,12,14)(H,10,11,13)
InChIKeyBLHLPKRVULXSLV-UHFFFAOYSA-N
XLogP-1.30
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide (CID 60982659) is 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is O=C1CCC(C(=O)NCc2ncn[nH]2)N1.
What is the InChIKey of 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is BLHLPKRVULXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c14-7-2-1-5(12-7)8(15)9-3-6-10-4-11-13-6/h4-5H,1-3H2,(H,9,15)(H,12,14)(H,10,11,13).
What are the key properties of 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide?
5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 209.21 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60982659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).