3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide

C14H16N10O — CID 167756045

IUPAC3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide
SMILESCCn1nnc(C)c1CNC(=O)c1cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c1
InChIInChI=1S/C14H16N10O/c1-3-24-13(9(2)19-23-24)8-17-14(25)11-4-10(7-18-21-15)5-12(6-11)20-22-16/h4-6H,3,7-8H2,1-2H3,(H,17,25)
InChIKeyPZXZOVHORRTRNY-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.29
Rot. Bonds7

About 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide

3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide (PubChem CID 167756045) has the molecular formula C14H16N10O and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide
PubChem CID167756045
Molecular FormulaC14H16N10O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide
SMILESCCn1nnc(C)c1CNC(=O)c1cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c1
InChIInChI=1S/C14H16N10O/c1-3-24-13(9(2)19-23-24)8-17-14(25)11-4-10(7-18-21-15)5-12(6-11)20-22-16/h4-6H,3,7-8H2,1-2H3,(H,17,25)
InChIKeyPZXZOVHORRTRNY-UHFFFAOYSA-N
XLogP3.29
TPSA157.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-5-(azidomethyl)-N-(1-ethoxy-2-methylpropan-2-yl)benzamide
CID 167868390
N-[(3-ethyl-5-methyltriazol-4-yl)methyl]acetamide
CID 157037644
3-azido-5-(azidomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)benzamide
CID 167754276
3-azido-5-(azidomethyl)-N-[(1S)-1-pyrazin-2-ylethyl]benzamide
CID 167871877
3-azido-5-(azidomethyl)-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]benzamide
CID 167923361
3-azido-5-(azidomethyl)-N-[3-(fluoromethyl)cyclobutyl]benzamide
CID 167904923
3-azido-5-(azidomethyl)-N-[11-[3-hydroxy-2-(1-hydroxyethyl)-1-methyl-5-oxo-2H-pyrrol-4-yl]-11-oxoundecyl]benzamide
CID 78134011
diethyl 5-azidobenzene-1,3-dicarboxylate
CID 21327938
N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 166838263
5-(azidomethyl)benzene-1,3-dicarbonyl chloride
CID 91250095
(3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)-[3-azido-5-(azidomethyl)phenyl]methanone
CID 167893762
N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66122444

Frequently Asked Questions

What is the IUPAC name of 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide?
The IUPAC name of 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide (CID 167756045) is 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide is CCn1nnc(C)c1CNC(=O)c1cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c1.
What is the InChIKey of 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide?
The InChIKey is PZXZOVHORRTRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N10O/c1-3-24-13(9(2)19-23-24)8-17-14(25)11-4-10(7-18-21-15)5-12(6-11)20-22-16/h4-6H,3,7-8H2,1-2H3,(H,17,25).
What are the key properties of 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide?
3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide has a molecular weight of 340.35 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5-(azidomethyl)-N-[(3-ethyl-5-methyltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 167756045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).