(1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide

C10H14N4O3 — CID 154865302

IUPAC(1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(NCCc1n[nH]c(=O)[nH]1)[C@@]12COC[C@@H]1C2
InChIInChI=1S/C10H14N4O3/c15-8(10-3-6(10)4-17-5-10)11-2-1-7-12-9(16)14-13-7/h6H,1-5H2,(H,11,15)(H2,12,13,14,16)/t6-,10-/m0/s1
InChIKeyNBBFPQKREPFMHM-WKEGUHRASA-N
MW238.25 g/mol
LogP-1.21
Rot. Bonds4

About (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide

(1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 154865302) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID154865302
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
SMILESO=C(NCCc1n[nH]c(=O)[nH]1)[C@@]12COC[C@@H]1C2
InChIInChI=1S/C10H14N4O3/c15-8(10-3-6(10)4-17-5-10)11-2-1-7-12-9(16)14-13-7/h6H,1-5H2,(H,11,15)(H2,12,13,14,16)/t6-,10-/m0/s1
InChIKeyNBBFPQKREPFMHM-WKEGUHRASA-N
XLogP-1.21
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide (CID 154865302) is (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide is O=C(NCCc1n[nH]c(=O)[nH]1)[C@@]12COC[C@@H]1C2.
What is the InChIKey of (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is NBBFPQKREPFMHM-WKEGUHRASA-N. The full InChI is InChI=1S/C10H14N4O3/c15-8(10-3-6(10)4-17-5-10)11-2-1-7-12-9(16)14-13-7/h6H,1-5H2,(H,11,15)(H2,12,13,14,16)/t6-,10-/m0/s1.
What are the key properties of (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide?
(1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 154865302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).