5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H15N5O2 — CID 66282208

IUPAC5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNCC(C)Oc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H15N5O2/c1-6(5-11-3)17-9-4-8-13-14-10(16)15(8)7(2)12-9/h4,6,11H,5H2,1-3H3,(H,14,16)
InChIKeyNIWLBGRREFTYAC-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.29
Rot. Bonds4

About 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282208) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282208
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNCC(C)Oc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C10H15N5O2/c1-6(5-11-3)17-9-4-8-13-14-10(16)15(8)7(2)12-9/h4,6,11H,5H2,1-3H3,(H,14,16)
InChIKeyNIWLBGRREFTYAC-UHFFFAOYSA-N
XLogP-0.29
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282208) is 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CNCC(C)Oc1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is NIWLBGRREFTYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6(5-11-3)17-9-4-8-13-14-10(16)15(8)7(2)12-9/h4,6,11H,5H2,1-3H3,(H,14,16).
What are the key properties of 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[1-(methylamino)propan-2-yloxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).