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

C10H18N4O2 — CID 79001382

IUPAC4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
SMILESCOCCCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C10H18N4O2/c1-16-7-3-5-10(15)11-6-2-4-9-12-8-13-14-9/h8H,2-7H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyZXDGURYAFIKQGW-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.28
Rot. Bonds8

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

4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide (PubChem CID 79001382) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
PubChem CID79001382
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
SMILESCOCCCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C10H18N4O2/c1-16-7-3-5-10(15)11-6-2-4-9-12-8-13-14-9/h8H,2-7H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyZXDGURYAFIKQGW-UHFFFAOYSA-N
XLogP0.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
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

3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
CID 64547268
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548082
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547664
2-[2-methoxyethyl-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 79269696
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070
propan-2-yl N-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 64530259
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
The IUPAC name of 4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide (CID 79001382) is 4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
The canonical SMILES for 4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide is COCCCC(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
The InChIKey is ZXDGURYAFIKQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-16-7-3-5-10(15)11-6-2-4-9-12-8-13-14-9/h8H,2-7H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of 4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide?
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide has a molecular weight of 226.28 g/mol, XLogP of 0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide is sourced from PubChem (CID 79001382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).