N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C14H17N5O2 — CID 60516795

IUPACN-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C14H17N5O2/c1-3-17(9-11(2)8-15)13(20)10-19-14(21)18-7-5-4-6-12(18)16-19/h4-7,11H,3,9-10H2,1-2H3
InChIKeyVGMABXFURKXLBA-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.50
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 60516795) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID60516795
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C14H17N5O2/c1-3-17(9-11(2)8-15)13(20)10-19-14(21)18-7-5-4-6-12(18)16-19/h4-7,11H,3,9-10H2,1-2H3
InChIKeyVGMABXFURKXLBA-UHFFFAOYSA-N
XLogP0.50
TPSA83.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051
2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid
CID 43132370
2-[cyclopropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanoic acid
CID 119202580
N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 60514491
N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 60513726
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
N-(2-methylpropoxy)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 115410231
2-[ethyl-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]amino]acetic acid
CID 119206118
2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75864744
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134059726

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 60516795) is N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CCN(CC(C)C#N)C(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is VGMABXFURKXLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-3-17(9-11(2)8-15)13(20)10-19-14(21)18-7-5-4-6-12(18)16-19/h4-7,11H,3,9-10H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 60516795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).