N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide

C10H16N4O2 — CID 64519538

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)C1CCCO1
InChIInChI=1S/C10H16N4O2/c15-10(8-3-2-6-16-8)11-5-1-4-9-12-7-13-14-9/h7-8H,1-6H2,(H,11,15)(H,12,13,14)
InChIKeyCZHBTZBOUPBXHS-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.03
Rot. Bonds5

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide

N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide (PubChem CID 64519538) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
PubChem CID64519538
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
SMILESO=C(NCCCc1ncn[nH]1)C1CCCO1
InChIInChI=1S/C10H16N4O2/c15-10(8-3-2-6-16-8)11-5-1-4-9-12-7-13-14-9/h7-8H,1-6H2,(H,11,15)(H,12,13,14)
InChIKeyCZHBTZBOUPBXHS-UHFFFAOYSA-N
XLogP0.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide (CID 64519538) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide is O=C(NCCCc1ncn[nH]1)C1CCCO1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide?
The InChIKey is CZHBTZBOUPBXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-10(8-3-2-6-16-8)11-5-1-4-9-12-7-13-14-9/h7-8H,1-6H2,(H,11,15)(H,12,13,14).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 64519538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).