N-(3-methyltriazol-4-yl)but-2-enamide

C7H10N4O — CID 154747308

IUPACN-(3-methyltriazol-4-yl)but-2-enamide
SMILESCC=CC(=O)Nc1cnnn1C
InChIInChI=1S/C7H10N4O/c1-3-4-7(12)9-6-5-8-10-11(6)2/h3-5H,1-2H3,(H,9,12)
InChIKeySQXDZSDVMOXLCK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.33
Rot. Bonds2

About N-(3-methyltriazol-4-yl)but-2-enamide

N-(3-methyltriazol-4-yl)but-2-enamide (PubChem CID 154747308) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N-(3-methyltriazol-4-yl)but-2-enamide.

Molecular Properties

Compound NameN-(3-methyltriazol-4-yl)but-2-enamide
PubChem CID154747308
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN-(3-methyltriazol-4-yl)but-2-enamide
SMILESCC=CC(=O)Nc1cnnn1C
InChIInChI=1S/C7H10N4O/c1-3-4-7(12)9-6-5-8-10-11(6)2/h3-5H,1-2H3,(H,9,12)
InChIKeySQXDZSDVMOXLCK-UHFFFAOYSA-N
XLogP0.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyltriazol-4-yl)but-2-enamide?
The IUPAC name of N-(3-methyltriazol-4-yl)but-2-enamide (CID 154747308) is N-(3-methyltriazol-4-yl)but-2-enamide.
What is the SMILES notation for N-(3-methyltriazol-4-yl)but-2-enamide?
The canonical SMILES for N-(3-methyltriazol-4-yl)but-2-enamide is CC=CC(=O)Nc1cnnn1C.
What is the InChIKey of N-(3-methyltriazol-4-yl)but-2-enamide?
The InChIKey is SQXDZSDVMOXLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-3-4-7(12)9-6-5-8-10-11(6)2/h3-5H,1-2H3,(H,9,12).
What are the key properties of N-(3-methyltriazol-4-yl)but-2-enamide?
N-(3-methyltriazol-4-yl)but-2-enamide has a molecular weight of 166.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyltriazol-4-yl)but-2-enamide is sourced from PubChem (CID 154747308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).