N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide

C11H12N4O — CID 78909463

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
SMILESCC=CC(=O)NCc1nnc2ccccn12
InChIInChI=1S/C11H12N4O/c1-2-5-11(16)12-8-10-14-13-9-6-3-4-7-15(9)10/h2-7H,8H2,1H3,(H,12,16)
InChIKeyBUIBZILVJZWMLV-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.92
Rot. Bonds3

About N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide (PubChem CID 78909463) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
PubChem CID78909463
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
SMILESCC=CC(=O)NCc1nnc2ccccn12
InChIInChI=1S/C11H12N4O/c1-2-5-11(16)12-8-10-14-13-9-6-3-4-7-15(9)10/h2-7H,8H2,1H3,(H,12,16)
InChIKeyBUIBZILVJZWMLV-UHFFFAOYSA-N
XLogP0.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.92
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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Related Compounds

(E)-3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 9020986
(E)-3-(4-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide
CID 17439947
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
2,3-dimethyl-4-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)but-2-enoic acid
CID 76992625
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
2-(aminomethyl)-2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 115432363
4-(propan-2-ylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 61274404
3,3-diphenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9291191
4-oxo-4-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 40709596
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
(2S)-2-amino-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 104897648
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide (CID 78909463) is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide is CC=CC(=O)NCc1nnc2ccccn12.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide?
The InChIKey is BUIBZILVJZWMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-5-11(16)12-8-10-14-13-9-6-3-4-7-15(9)10/h2-7H,8H2,1H3,(H,12,16).
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide?
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide has a molecular weight of 216.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide is sourced from PubChem (CID 78909463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).