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

C16H25N7O — CID 56802643

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESCC(C)c1nnc2n1CCN(CC(=O)N(C)Cc1cnn(C)c1)C2
InChIInChI=1S/C16H25N7O/c1-12(2)16-19-18-14-10-22(5-6-23(14)16)11-15(24)20(3)8-13-7-17-21(4)9-13/h7,9,12H,5-6,8,10-11H2,1-4H3
InChIKeyBNJRTFNNDFGXBF-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.61
Rot. Bonds5

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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (PubChem CID 56802643) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
PubChem CID56802643
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
SMILESCC(C)c1nnc2n1CCN(CC(=O)N(C)Cc1cnn(C)c1)C2
InChIInChI=1S/C16H25N7O/c1-12(2)16-19-18-14-10-22(5-6-23(14)16)11-15(24)20(3)8-13-7-17-21(4)9-13/h7,9,12H,5-6,8,10-11H2,1-4H3
InChIKeyBNJRTFNNDFGXBF-UHFFFAOYSA-N
XLogP0.61
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-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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Related Compounds

7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71932890
2-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]piperazin-1-yl]acetic acid
CID 61439912
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 95766566
(4S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126426485
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004471
2-(5-amino-2-oxo-1-pyridinyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 62815312
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60952592
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
2,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 76992644

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-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-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide (CID 56802643) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-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-methyl-N-[(1-methylpyrazol-4-yl)methyl]-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-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide is CC(C)c1nnc2n1CCN(CC(=O)N(C)Cc1cnn(C)c1)C2.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
The InChIKey is BNJRTFNNDFGXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-12(2)16-19-18-14-10-22(5-6-23(14)16)11-15(24)20(3)8-13-7-17-21(4)9-13/h7,9,12H,5-6,8,10-11H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-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 331.42 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-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 56802643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).