2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide

C13H17N5O2 — CID 131911881

IUPAC2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1-c1cccc(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c1-2-3-7-18-13(9-5-4-6-12(20)15-9)16-11(17-18)8-10(14)19/h4-6H,2-3,7-8H2,1H3,(H2,14,19)(H,15,20)
InChIKeyOSOGXCKIHFYVRV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.46
Rot. Bonds6

About 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 131911881) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID131911881
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1-c1cccc(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c1-2-3-7-18-13(9-5-4-6-12(20)15-9)16-11(17-18)8-10(14)19/h4-6H,2-3,7-8H2,1H3,(H2,14,19)(H,15,20)
InChIKeyOSOGXCKIHFYVRV-UHFFFAOYSA-N
XLogP0.46
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide (CID 131911881) is 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide is CCCCn1nc(CC(N)=O)nc1-c1cccc(=O)[nH]1.
What is the InChIKey of 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is OSOGXCKIHFYVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-3-7-18-13(9-5-4-6-12(20)15-9)16-11(17-18)8-10(14)19/h4-6H,2-3,7-8H2,1H3,(H2,14,19)(H,15,20).
What are the key properties of 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-(6-oxo-1H-pyridin-2-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 131911881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).