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

C12H17N5O2 — CID 66284162

IUPAC7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N(C)CC2CC(O)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H17N5O2/c1-7-13-10(5-11-14-15-12(19)17(7)11)16(2)6-8-3-9(18)4-8/h5,8-9,18H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyHRLFTZUXEQXOMR-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.07
Rot. Bonds3

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

7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66284162) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66284162
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N(C)CC2CC(O)C2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H17N5O2/c1-7-13-10(5-11-14-15-12(19)17(7)11)16(2)6-8-3-9(18)4-8/h5,8-9,18H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyHRLFTZUXEQXOMR-UHFFFAOYSA-N
XLogP-0.07
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66284162) is 7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N(C)CC2CC(O)C2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is HRLFTZUXEQXOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-7-13-10(5-11-14-15-12(19)17(7)11)16(2)6-8-3-9(18)4-8/h5,8-9,18H,3-4,6H2,1-2H3,(H,15,19).
What are the key properties of 7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 263.30 g/mol, XLogP of -0.07, 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]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66284162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).