2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide

C13H17N5O — CID 114419901

IUPAC2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(C)N)nn2)c1
InChIInChI=1S/C13H17N5O/c1-9-4-3-5-11(6-9)15-13(19)8-18-7-12(10(2)14)16-17-18/h3-7,10H,8,14H2,1-2H3,(H,15,19)
InChIKeyIAXNUYSJWPPYKV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.24
Rot. Bonds4

About 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide

2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 114419901) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID114419901
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(C)N)nn2)c1
InChIInChI=1S/C13H17N5O/c1-9-4-3-5-11(6-9)15-13(19)8-18-7-12(10(2)14)16-17-18/h3-7,10H,8,14H2,1-2H3,(H,15,19)
InChIKeyIAXNUYSJWPPYKV-UHFFFAOYSA-N
XLogP1.24
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742856
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419537
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 114419810
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
2-[4-(1-aminoethyl)triazol-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 114419583
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
ethyl 1-[2-(3-methylanilino)-2-oxoethyl]pyrazole-4-carboxylate
CID 81495449
2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide (CID 114419901) is 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cc(C(C)N)nn2)c1.
What is the InChIKey of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is IAXNUYSJWPPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-4-3-5-11(6-9)15-13(19)8-18-7-12(10(2)14)16-17-18/h3-7,10H,8,14H2,1-2H3,(H,15,19).
What are the key properties of 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide?
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 114419901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).