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

C12H18N6O2 — CID 66283584

IUPAC7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCOC1CC(N)C1Nc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H18N6O2/c1-3-20-8-4-7(13)11(8)15-9-5-10-16-17-12(19)18(10)6(2)14-9/h5,7-8,11,15H,3-4,13H2,1-2H3,(H,17,19)
InChIKeyMTJDQCGWNNGXCL-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.36
Rot. Bonds4

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

7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283584) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283584
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCOC1CC(N)C1Nc1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H18N6O2/c1-3-20-8-4-7(13)11(8)15-9-5-10-16-17-12(19)18(10)6(2)14-9/h5,7-8,11,15H,3-4,13H2,1-2H3,(H,17,19)
InChIKeyMTJDQCGWNNGXCL-UHFFFAOYSA-N
XLogP-0.36
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283584) is 7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCOC1CC(N)C1Nc1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MTJDQCGWNNGXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-20-8-4-7(13)11(8)15-9-5-10-16-17-12(19)18(10)6(2)14-9/h5,7-8,11,15H,3-4,13H2,1-2H3,(H,17,19).
What are the key properties of 7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 278.32 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-amino-4-ethoxycyclobutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).