N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide

C9H14N4O — CID 163689578

IUPACN-[(1-propyltriazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cn(CCC)nn1
InChIInChI=1S/C9H14N4O/c1-3-5-13-7-8(11-12-13)6-10-9(14)4-2/h4,7H,2-3,5-6H2,1H3,(H,10,14)
InChIKeyJRULLMKYUGIXEA-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.49
Rot. Bonds5

About N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide

N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide (PubChem CID 163689578) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1-propyltriazol-4-yl)methyl]prop-2-enamide
PubChem CID163689578
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-[(1-propyltriazol-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cn(CCC)nn1
InChIInChI=1S/C9H14N4O/c1-3-5-13-7-8(11-12-13)6-10-9(14)4-2/h4,7H,2-3,5-6H2,1H3,(H,10,14)
InChIKeyJRULLMKYUGIXEA-UHFFFAOYSA-N
XLogP0.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.49
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-[(1-propyltriazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide (CID 163689578) is N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide is C=CC(=O)NCc1cn(CCC)nn1.
What is the InChIKey of N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide?
The InChIKey is JRULLMKYUGIXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-5-13-7-8(11-12-13)6-10-9(14)4-2/h4,7H,2-3,5-6H2,1H3,(H,10,14).
What are the key properties of N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide?
N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide has a molecular weight of 194.24 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propyltriazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 163689578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).