2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide

C12H17N7O2 — CID 66206041

IUPAC2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCOCCNCc1cn(CC(=O)Nc2ncccn2)nn1
InChIInChI=1S/C12H17N7O2/c1-21-6-5-13-7-10-8-19(18-17-10)9-11(20)16-12-14-3-2-4-15-12/h2-4,8,13H,5-7,9H2,1H3,(H,14,15,16,20)
InChIKeyPHGFZXPWRGVNLD-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.56
Rot. Bonds8

About 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide

2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide (PubChem CID 66206041) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide
PubChem CID66206041
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCOCCNCc1cn(CC(=O)Nc2ncccn2)nn1
InChIInChI=1S/C12H17N7O2/c1-21-6-5-13-7-10-8-19(18-17-10)9-11(20)16-12-14-3-2-4-15-12/h2-4,8,13H,5-7,9H2,1H3,(H,14,15,16,20)
InChIKeyPHGFZXPWRGVNLD-UHFFFAOYSA-N
XLogP-0.56
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide (CID 66206041) is 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide is COCCNCc1cn(CC(=O)Nc2ncccn2)nn1.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide?
The InChIKey is PHGFZXPWRGVNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-21-6-5-13-7-10-8-19(18-17-10)9-11(20)16-12-14-3-2-4-15-12/h2-4,8,13H,5-7,9H2,1H3,(H,14,15,16,20).
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide?
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide has a molecular weight of 291.31 g/mol, XLogP of -0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 66206041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).