N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide

C14H21N7O — CID 56780136

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESCCc1nnc2n1CCN(CC(=O)Nc1cc(C)nn1C)C2
InChIInChI=1S/C14H21N7O/c1-4-11-16-17-13-8-20(5-6-21(11)13)9-14(22)15-12-7-10(2)18-19(12)3/h7H,4-6,8-9H2,1-3H3,(H,15,22)
InChIKeyNSZROHNAZBKZGD-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.34
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (PubChem CID 56780136) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
PubChem CID56780136
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESCCc1nnc2n1CCN(CC(=O)Nc1cc(C)nn1C)C2
InChIInChI=1S/C14H21N7O/c1-4-11-16-17-13-8-20(5-6-21(11)13)9-14(22)15-12-7-10(2)18-19(12)3/h7H,4-6,8-9H2,1-3H3,(H,15,22)
InChIKeyNSZROHNAZBKZGD-UHFFFAOYSA-N
XLogP0.34
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (CID 56780136) is N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is CCc1nnc2n1CCN(CC(=O)Nc1cc(C)nn1C)C2.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The InChIKey is NSZROHNAZBKZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-4-11-16-17-13-8-20(5-6-21(11)13)9-14(22)15-12-7-10(2)18-19(12)3/h7H,4-6,8-9H2,1-3H3,(H,15,22).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is sourced from PubChem (CID 56780136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).