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

C12H21N5O2 — CID 66272560

IUPACN-(3-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1nc2n(c1=O)CCNC2
InChIInChI=1S/C12H21N5O2/c1-8(2)9(3)14-11(18)7-17-12(19)16-5-4-13-6-10(16)15-17/h8-9,13H,4-7H2,1-3H3,(H,14,18)
InChIKeyHMUFRJLNVBTTRB-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.69
Rot. Bonds4

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

N-(3-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (PubChem CID 66272560) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
PubChem CID66272560
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-(3-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1nc2n(c1=O)CCNC2
InChIInChI=1S/C12H21N5O2/c1-8(2)9(3)14-11(18)7-17-12(19)16-5-4-13-6-10(16)15-17/h8-9,13H,4-7H2,1-3H3,(H,14,18)
InChIKeyHMUFRJLNVBTTRB-UHFFFAOYSA-N
XLogP-0.69
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
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

2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)-N-propylacetamide
CID 84597200
N-tert-butyl-2-(1-tert-butyl-3-methyl-5-oxo-1,2,4-triazol-4-yl)acetamide
CID 84597866
N-cyclopentyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 110876298
N,N-diethyl-2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide
CID 50971169
2,4-dimethyl-6-(3-methyl-piperazin-1-yl)-2H-[1,2,4]triazine-3,5-dione
CID 58269805
4-Methyl-2-(3-methylbutyl)-6-piperazin-1-yl-1,2,4-triazine-3,5-dione
CID 124152036
2-[5-Oxo-3,4-di(propan-2-yl)-1,2,4-triazol-1-yl]acetamide
CID 176773680
2,4-Dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione
CID 43410498
2,4-Dimethyl-6-(4-methylpentan-2-ylamino)-1,2,4-triazine-3,5-dione
CID 43646860
2,4-Dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione
CID 54954675
N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide
CID 55793943
3-methyl-2-(3-methylbutanoylamino)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 55858340

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-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-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide (CID 66272560) is N-(3-methylbutan-2-yl)-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-methylbutan-2-yl)-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-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is CC(C)C(C)NC(=O)Cn1nc2n(c1=O)CCNC2.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
The InChIKey is HMUFRJLNVBTTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)9(3)14-11(18)7-17-12(19)16-5-4-13-6-10(16)15-17/h8-9,13H,4-7H2,1-3H3,(H,14,18).
What are the key properties of N-(3-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide?
N-(3-methylbutan-2-yl)-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, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 66272560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).