2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

C11H10Cl3N5O — CID 62054464

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESNCc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1
InChIInChI=1S/C11H10Cl3N5O/c12-7-1-9(14)10(2-8(7)13)16-11(20)5-19-4-6(3-15)17-18-19/h1-2,4H,3,5,15H2,(H,16,20)
InChIKeySUFBKYGXCXQCQV-UHFFFAOYSA-N
MW334.59 g/mol
LogP2.34
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 62054464) has the molecular formula C11H10Cl3N5O and a molecular weight of 334.59 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID62054464
Molecular FormulaC11H10Cl3N5O
Molecular Weight334.59 g/mol
Exact Mass333.00
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESNCc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1
InChIInChI=1S/C11H10Cl3N5O/c12-7-1-9(14)10(2-8(7)13)16-11(20)5-19-4-6(3-15)17-18-19/h1-2,4H,3,5,15H2,(H,16,20)
InChIKeySUFBKYGXCXQCQV-UHFFFAOYSA-N
XLogP2.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727118
2-[4-(aminomethyl)triazol-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 62054655
2-[4-(aminomethyl)triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 62053803
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
2-[4-(3-aminopropyl)triazol-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 106220930
2-[4-(aminomethyl)triazol-1-yl]-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107641680
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46868049
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-2,6-dimethylphenyl)acetamide
CID 115458933
2-[4-(aminomethyl)triazol-1-yl]-N-(2-bromo-4-cyanophenyl)acetamide
CID 115459165
2-[4-(aminomethyl)triazol-1-yl]-N-(5-bromo-2-methoxyphenyl)acetamide
CID 115459682
N-(4-bromo-2-chlorophenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66193871
3-[4-(aminomethyl)triazol-1-yl]-N-(2-chlorophenyl)propanamide
CID 55029571

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 62054464) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is NCc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is SUFBKYGXCXQCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3N5O/c12-7-1-9(14)10(2-8(7)13)16-11(20)5-19-4-6(3-15)17-18-19/h1-2,4H,3,5,15H2,(H,16,20).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 334.59 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 62054464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).