N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C13H22N4O2 — CID 91916541

IUPACN-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C13H22N4O2/c1-10(2)6-7-14-12(18)9-17-13(19)16-8-4-3-5-11(16)15-17/h10H,3-9H2,1-2H3,(H,14,18)
InChIKeyIIZCGRUWAXVONJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.54
Rot. Bonds5

About N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 91916541) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID91916541
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C13H22N4O2/c1-10(2)6-7-14-12(18)9-17-13(19)16-8-4-3-5-11(16)15-17/h10H,3-9H2,1-2H3,(H,14,18)
InChIKeyIIZCGRUWAXVONJ-UHFFFAOYSA-N
XLogP0.54
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 91916541) is N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CC(C)CCNC(=O)Cn1nc2n(c1=O)CCCC2.
What is the InChIKey of N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is IIZCGRUWAXVONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(2)6-7-14-12(18)9-17-13(19)16-8-4-3-5-11(16)15-17/h10H,3-9H2,1-2H3,(H,14,18).
What are the key properties of N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 91916541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).