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

C13H15N5O3 — CID 83090297

IUPAC4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(CNC(C)=O)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-8(19)14-7-9-3-5-10(6-4-9)11(20)15-12-16-13(21-2)18-17-12/h3-6H,7H2,1-2H3,(H,14,19)(H2,15,16,17,18,20)
InChIKeyCYNIRFONHFUVJC-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.70
Rot. Bonds5

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

4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 83090297) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID83090297
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(CNC(C)=O)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-8(19)14-7-9-3-5-10(6-4-9)11(20)15-12-16-13(21-2)18-17-12/h3-6H,7H2,1-2H3,(H,14,19)(H2,15,16,17,18,20)
InChIKeyCYNIRFONHFUVJC-UHFFFAOYSA-N
XLogP0.70
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83102350
4-butyl-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83101910
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-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 83097711
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 83090269
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
2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
4-(acetamidomethyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859603
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (CID 83090297) is 4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is COc1n[nH]c(NC(=O)c2ccc(CNC(C)=O)cc2)n1.
What is the InChIKey of 4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is CYNIRFONHFUVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8(19)14-7-9-3-5-10(6-4-9)11(20)15-12-16-13(21-2)18-17-12/h3-6H,7H2,1-2H3,(H,14,19)(H2,15,16,17,18,20).
What are the key properties of 4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 83090297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).