5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H16N6O — CID 115319265

IUPAC5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(CCCN)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C10H16N6O/c1-15(4-2-3-11)6-8-5-9(17)16-10(14-8)12-7-13-16/h5,7H,2-4,6,11H2,1H3,(H,12,13,14)
InChIKeyXIKISZBTBCTRJV-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.80
Rot. Bonds5

About 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 115319265) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID115319265
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCN(CCCN)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C10H16N6O/c1-15(4-2-3-11)6-8-5-9(17)16-10(14-8)12-7-13-16/h5,7H,2-4,6,11H2,1H3,(H,12,13,14)
InChIKeyXIKISZBTBCTRJV-UHFFFAOYSA-N
XLogP-0.80
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 115319265) is 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CN(CCCN)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XIKISZBTBCTRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-15(4-2-3-11)6-8-5-9(17)16-10(14-8)12-7-13-16/h5,7H,2-4,6,11H2,1H3,(H,12,13,14).
What are the key properties of 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 236.28 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115319265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).