2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H15N7O — CID 137003542

IUPAC2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3cnc(C4(N)CCC4)[nH]3)nc2n1
InChIInChI=1S/C13H15N7O/c1-7-5-9(21)20-12(16-7)18-10(19-20)8-6-15-11(17-8)13(14)3-2-4-13/h5-6H,2-4,14H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyHNRKAKRLEJYNKF-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.45
Rot. Bonds2

About 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 137003542) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID137003542
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3cnc(C4(N)CCC4)[nH]3)nc2n1
InChIInChI=1S/C13H15N7O/c1-7-5-9(21)20-12(16-7)18-10(19-20)8-6-15-11(17-8)13(14)3-2-4-13/h5-6H,2-4,14H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyHNRKAKRLEJYNKF-UHFFFAOYSA-N
XLogP0.45
TPSA117.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 137003542) is 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3cnc(C4(N)CCC4)[nH]3)nc2n1.
What is the InChIKey of 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HNRKAKRLEJYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-7-5-9(21)20-12(16-7)18-10(19-20)8-6-15-11(17-8)13(14)3-2-4-13/h5-6H,2-4,14H2,1H3,(H,15,17)(H,16,18,19).
What are the key properties of 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 285.31 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 137003542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).