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

C12H21N5O2 — CID 66274256

IUPACN-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc2n(c1=O)CCNC2
InChIInChI=1S/C12H21N5O2/c1-9(2)3-4-14-11(18)8-17-12(19)16-6-5-13-7-10(16)15-17/h9,13H,3-8H2,1-2H3,(H,14,18)
InChIKeyPMINAIKMGVHWOF-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.69
Rot. Bonds5

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

N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (PubChem CID 66274256) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
PubChem CID66274256
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCC(C)CCNC(=O)Cn1nc2n(c1=O)CCNC2
InChIInChI=1S/C12H21N5O2/c1-9(2)3-4-14-11(18)8-17-12(19)16-6-5-13-7-10(16)15-17/h9,13H,3-8H2,1-2H3,(H,14,18)
InChIKeyPMINAIKMGVHWOF-UHFFFAOYSA-N
XLogP-0.69
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 66272560
N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 66272771
N-methyl-3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanamide
CID 66274048
2-heptyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66278815
N-(2-hydroxypropyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 110886642
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742
2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide
CID 65462165
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 54957515
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide
CID 55024544
2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-prop-2-ynylacetamide
CID 79501630
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 75526882
2-[(5-methyloxolan-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 103142774

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]pyrazin-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]pyrazin-2-yl)acetamide (CID 66274256) is N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-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]pyrazin-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]pyrazin-2-yl)acetamide is CC(C)CCNC(=O)Cn1nc2n(c1=O)CCNC2.
What is the InChIKey of N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The InChIKey is PMINAIKMGVHWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(2)3-4-14-11(18)8-17-12(19)16-6-5-13-7-10(16)15-17/h9,13H,3-8H2,1-2H3,(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]pyrazin-2-yl)acetamide?
N-(3-methylbutyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]pyrazin-2-yl)acetamide is sourced from PubChem (CID 66274256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).