4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide

C14H18N4O2 — CID 83101910

IUPAC4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2nc(OC)n[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-4-5-10-6-8-11(9-7-10)12(19)15-13-16-14(20-2)18-17-13/h6-9H,3-5H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPQTZKJYBMKPNQI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds6

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

4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 83101910) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID83101910
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCCCCc1ccc(C(=O)Nc2nc(OC)n[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c1-3-4-5-10-6-8-11(9-7-10)12(19)15-13-16-14(20-2)18-17-13/h6-9H,3-5H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyPQTZKJYBMKPNQI-UHFFFAOYSA-N
XLogP2.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83102350
4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83090297
4-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83093226
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-propan-2-ylbenzamide
CID 83086635
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-pyrazol-1-ylbenzamide
CID 83090123
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
3-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-nitrobenzamide
CID 103947347
4-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 112631345
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
CID 83102478
4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 171984736

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (CID 83101910) is 4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is CCCCc1ccc(C(=O)Nc2nc(OC)n[nH]2)cc1.
What is the InChIKey of 4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is PQTZKJYBMKPNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-4-5-10-6-8-11(9-7-10)12(19)15-13-16-14(20-2)18-17-13/h6-9H,3-5H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 83101910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).