2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide

C10H17N5O — CID 106186838

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C10H17N5O/c1-8(2)3-4-12-10(16)7-15-6-9(5-11)13-14-15/h3,6H,4-5,7,11H2,1-2H3,(H,12,16)
InChIKeyTUZVPYGGQLQXGG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.18
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide (PubChem CID 106186838) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
PubChem CID106186838
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C10H17N5O/c1-8(2)3-4-12-10(16)7-15-6-9(5-11)13-14-15/h3,6H,4-5,7,11H2,1-2H3,(H,12,16)
InChIKeyTUZVPYGGQLQXGG-UHFFFAOYSA-N
XLogP-0.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-2-methoxypropanoic acid
CID 106109016
2-[4-(aminomethyl)triazol-1-yl]-N-(ethylcarbamoyl)acetamide
CID 62054135
2-[4-(aminomethyl)triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62053793
3-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276726
2-[4-(aminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 55029749
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 115459995
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604
2-[4-(aminomethyl)triazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 113314182

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide (CID 106186838) is 2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide is CC(C)=CCNC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide?
The InChIKey is TUZVPYGGQLQXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8(2)3-4-12-10(16)7-15-6-9(5-11)13-14-15/h3,6H,4-5,7,11H2,1-2H3,(H,12,16).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.18, 5 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-(3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 106186838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).