2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide

C12H19N7O — CID 106301572

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCn1cnnc1CNC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C12H19N7O/c1-4-18-7-15-16-10(18)5-14-11(20)6-19-9(3)12(13)8(2)17-19/h7H,4-6,13H2,1-3H3,(H,14,20)
InChIKeyLTBRADQQKZMTIW-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.01
Rot. Bonds5

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 106301572) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID106301572
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCn1cnnc1CNC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C12H19N7O/c1-4-18-7-15-16-10(18)5-14-11(20)6-19-9(3)12(13)8(2)17-19/h7H,4-6,13H2,1-3H3,(H,14,20)
InChIKeyLTBRADQQKZMTIW-UHFFFAOYSA-N
XLogP0.01
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide with MolForge

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Related Compounds

2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
3-amino-5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301578
2-(azetidin-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103813771
3-(2-aminophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide;dihydrochloride
CID 120612519
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylpropanamide
CID 103813792
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
CID 114386539
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 106301572) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide is CCn1cnnc1CNC(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is LTBRADQQKZMTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-4-18-7-15-16-10(18)5-14-11(20)6-19-9(3)12(13)8(2)17-19/h7H,4-6,13H2,1-3H3,(H,14,20).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 277.33 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 106301572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).