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

C11H18N4O2 — CID 79758881

IUPAC2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H18N4O2/c1-8-9(4-6-17-8)11(16)12-5-2-3-10-13-7-14-15-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyYRYZDAXHIWRLRK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.28
Rot. Bonds5

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

2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide (PubChem CID 79758881) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
PubChem CID79758881
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C11H18N4O2/c1-8-9(4-6-17-8)11(16)12-5-2-3-10-13-7-14-15-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyYRYZDAXHIWRLRK-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

5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 114826327
(2R)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-2-carboxamide
CID 103850296
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
4-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclohexane-1-carboxamide
CID 64547266
(2R,3R)-2-(5-bromo-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
CID 126820516
2-(cyclopropylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64531149
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
CID 82727643
4-ethyl-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511873
2-methyl-N-pent-4-ynyloxolane-3-carboxamide
CID 103894078
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
2-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]propanoic acid
CID 64532353

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide (CID 79758881) is 2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide is CC1OCCC1C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide?
The InChIKey is YRYZDAXHIWRLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-9(4-6-17-8)11(16)12-5-2-3-10-13-7-14-15-10/h7-9H,2-6H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide?
2-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 2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 79758881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).