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

C11H18N4O2 — CID 114826327

IUPAC5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
SMILESCC1CC(C(=O)NCCCc2ncn[nH]2)CO1
InChIInChI=1S/C11H18N4O2/c1-8-5-9(6-17-8)11(16)12-4-2-3-10-13-7-14-15-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyHCMZQASFRPCZSI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.28
Rot. Bonds5

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

5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide (PubChem CID 114826327) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
PubChem CID114826327
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
SMILESCC1CC(C(=O)NCCCc2ncn[nH]2)CO1
InChIInChI=1S/C11H18N4O2/c1-8-5-9(6-17-8)11(16)12-4-2-3-10-13-7-14-15-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyHCMZQASFRPCZSI-UHFFFAOYSA-N
XLogP0.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.28
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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Related Compounds

2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 79758881
(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
CID 103850296
4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
CID 64547266
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607
N-[3-(1H-1,2,4-triazol-5-yl)propyl]morpholine-2-carboxamide
CID 64531342
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 71980106
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
cis-(1R,3S)-3-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319787
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
CID 114826330
4-oxo-4-[3-(1H-1,2,4-triazol-5-yl)propylamino]but-2-enoic acid
CID 77044355
N-(4-chloropentyl)-5-methyloxolane-3-carboxamide
CID 106129813

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide (CID 114826327) is 5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide is CC1CC(C(=O)NCCCc2ncn[nH]2)CO1.
What is the InChIKey of 5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide?
The InChIKey is HCMZQASFRPCZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-5-9(6-17-8)11(16)12-4-2-3-10-13-7-14-15-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide?
5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 114826327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).