N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide

C12H18N6O — CID 133303949

IUPACN-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1cc(C)nc2ncnn12
InChIInChI=1S/C12H18N6O/c1-9-7-11(18-12(16-9)14-8-15-18)17(3)6-4-5-13-10(2)19/h7-8H,4-6H2,1-3H3,(H,13,19)
InChIKeyCBZFKTDBPOKITO-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.40
Rot. Bonds5

About N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide

N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide (PubChem CID 133303949) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide
PubChem CID133303949
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1cc(C)nc2ncnn12
InChIInChI=1S/C12H18N6O/c1-9-7-11(18-12(16-9)14-8-15-18)17(3)6-4-5-13-10(2)19/h7-8H,4-6H2,1-3H3,(H,13,19)
InChIKeyCBZFKTDBPOKITO-UHFFFAOYSA-N
XLogP0.40
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide?
The IUPAC name of N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide (CID 133303949) is N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide is CC(=O)NCCCN(C)c1cc(C)nc2ncnn12.
What is the InChIKey of N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide?
The InChIKey is CBZFKTDBPOKITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-9-7-11(18-12(16-9)14-8-15-18)17(3)6-4-5-13-10(2)19/h7-8H,4-6H2,1-3H3,(H,13,19).
What are the key properties of N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide?
N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide has a molecular weight of 262.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propyl]acetamide is sourced from PubChem (CID 133303949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).