4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

C13H16N4O2 — CID 7376074

IUPAC4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-2-3-8-19-11-6-4-10(5-7-11)12(18)16-13-14-9-15-17-13/h4-7,9H,2-3,8H2,1H3,(H2,14,15,16,17,18)
InChIKeyLVOSGPQWQVEIRV-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.24
Rot. Bonds6

About 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 7376074) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID7376074
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-2-3-8-19-11-6-4-10(5-7-11)12(18)16-13-14-9-15-17-13/h4-7,9H,2-3,8H2,1H3,(H2,14,15,16,17,18)
InChIKeyLVOSGPQWQVEIRV-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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

4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
4-butoxy-N-(1H-imidazol-2-yl)benzamide
CID 60968641
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866056
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N'-(4-hexoxybenzoyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzohydrazide
CID 55370125
4-pentoxybenzohydrazide
CID 2727702
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-butoxy-N-(1,2-oxazol-3-yl)benzamide
CID 25236391
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 7376074) is 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is CCCCOc1ccc(C(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is LVOSGPQWQVEIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-3-8-19-11-6-4-10(5-7-11)12(18)16-13-14-9-15-17-13/h4-7,9H,2-3,8H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 7376074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).