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

C13H16N4O2 — CID 64519181

IUPAC3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCc2ncn[nH]2)c1
InChIInChI=1S/C13H16N4O2/c1-19-11-5-2-4-10(8-11)13(18)14-7-3-6-12-15-9-16-17-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyRSOQCPUYQVJMEW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.18
Rot. Bonds6

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

3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide (PubChem CID 64519181) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
PubChem CID64519181
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCc2ncn[nH]2)c1
InChIInChI=1S/C13H16N4O2/c1-19-11-5-2-4-10(8-11)13(18)14-7-3-6-12-15-9-16-17-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyRSOQCPUYQVJMEW-UHFFFAOYSA-N
XLogP1.18
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.18
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-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
3-methoxy-N-[3-oxo-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 90651512
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-6-carboxamide
CID 64548430
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-tridecylbenzamide
CID 139819898
2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531620
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 64548674
N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-3-carboxamide
CID 64546872
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide (CID 64519181) is 3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide is COc1cccc(C(=O)NCCCc2ncn[nH]2)c1.
What is the InChIKey of 3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide?
The InChIKey is RSOQCPUYQVJMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-11-5-2-4-10(8-11)13(18)14-7-3-6-12-15-9-16-17-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide?
3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide is sourced from PubChem (CID 64519181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).