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

C11H17N7O — CID 106302463

IUPAC2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCn1cnnc1CNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H17N7O/c1-3-18-7-14-16-9(18)5-13-11(19)10(12)8-4-15-17(2)6-8/h4,6-7,10H,3,5,12H2,1-2H3,(H,13,19)
InChIKeyRJDSSCPXJDDXRB-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.65
Rot. Bonds5

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

2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 106302463) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID106302463
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCCn1cnnc1CNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H17N7O/c1-3-18-7-14-16-9(18)5-13-11(19)10(12)8-4-15-17(2)6-8/h4,6-7,10H,3,5,12H2,1-2H3,(H,13,19)
InChIKeyRJDSSCPXJDDXRB-UHFFFAOYSA-N
XLogP-0.65
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669775
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106047403
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 106302463) is 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide is CCn1cnnc1CNC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is RJDSSCPXJDDXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-18-7-14-16-9(18)5-13-11(19)10(12)8-4-15-17(2)6-8/h4,6-7,10H,3,5,12H2,1-2H3,(H,13,19).
What are the key properties of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 263.31 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 106302463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).