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

C15H23N7O — CID 56780153

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCn3c(nnc3C(C)C)C2)n(C)n1
InChIInChI=1S/C15H23N7O/c1-10(2)15-18-17-13-8-21(5-6-22(13)15)9-14(23)16-12-7-11(3)19-20(12)4/h7,10H,5-6,8-9H2,1-4H3,(H,16,23)
InChIKeyAWTBYPULJZWPMP-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.90
Rot. Bonds4

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

N-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (PubChem CID 56780153) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
PubChem CID56780153
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCn3c(nnc3C(C)C)C2)n(C)n1
InChIInChI=1S/C15H23N7O/c1-10(2)15-18-17-13-8-21(5-6-22(13)15)9-14(23)16-12-7-11(3)19-20(12)4/h7,10H,5-6,8-9H2,1-4H3,(H,16,23)
InChIKeyAWTBYPULJZWPMP-UHFFFAOYSA-N
XLogP0.90
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (CID 56780153) is N-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is Cc1cc(NC(=O)CN2CCn3c(nnc3C(C)C)C2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The InChIKey is AWTBYPULJZWPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-10(2)15-18-17-13-8-21(5-6-22(13)15)9-14(23)16-12-7-11(3)19-20(12)4/h7,10H,5-6,8-9H2,1-4H3,(H,16,23).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide has a molecular weight of 317.40 g/mol, XLogP of 0.90, 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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is sourced from PubChem (CID 56780153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).