2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide

C9H15N5O — CID 106179680

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H15N5O/c1-7(2)3-4-11-8(15)5-14-6-12-9(10)13-14/h3,6H,4-5H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyWBZDLNDOFHTDJB-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.06
Rot. Bonds4

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide (PubChem CID 106179680) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide
PubChem CID106179680
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H15N5O/c1-7(2)3-4-11-8(15)5-14-6-12-9(10)13-14/h3,6H,4-5H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyWBZDLNDOFHTDJB-UHFFFAOYSA-N
XLogP-0.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide (CID 106179680) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide is CC(C)=CCNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide?
The InChIKey is WBZDLNDOFHTDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-7(2)3-4-11-8(15)5-14-6-12-9(10)13-14/h3,6H,4-5H2,1-2H3,(H2,10,13)(H,11,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide has a molecular weight of 209.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 106179680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).