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

C11H15N5O2 — CID 66283513

IUPAC7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCN(CC1CC(O)C1)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H15N5O2/c1-15(5-7-2-8(17)3-7)9-4-10-13-14-11(18)16(10)6-12-9/h4,6-8,17H,2-3,5H2,1H3,(H,14,18)
InChIKeyIRLCNUZTNSVIOU-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.38
Rot. Bonds3

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

7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283513) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283513
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCN(CC1CC(O)C1)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C11H15N5O2/c1-15(5-7-2-8(17)3-7)9-4-10-13-14-11(18)16(10)6-12-9/h4,6-8,17H,2-3,5H2,1H3,(H,14,18)
InChIKeyIRLCNUZTNSVIOU-UHFFFAOYSA-N
XLogP-0.38
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283513) is 7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CN(CC1CC(O)C1)c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is IRLCNUZTNSVIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-15(5-7-2-8(17)3-7)9-4-10-13-14-11(18)16(10)6-12-9/h4,6-8,17H,2-3,5H2,1H3,(H,14,18).
What are the key properties of 7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 249.27 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).