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

C12H17N5O2 — CID 66283558

IUPAC7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC2(CO)CCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H17N5O2/c1-8-13-9(6-10-15-16-11(19)17(8)10)14-12(7-18)4-2-3-5-12/h6,14,18H,2-5,7H2,1H3,(H,16,19)
InChIKeyVSZOKQNGJIORKK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.44
Rot. Bonds3

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

7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283558) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283558
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC2(CO)CCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H17N5O2/c1-8-13-9(6-10-15-16-11(19)17(8)10)14-12(7-18)4-2-3-5-12/h6,14,18H,2-5,7H2,1H3,(H,16,19)
InChIKeyVSZOKQNGJIORKK-UHFFFAOYSA-N
XLogP0.44
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283558) is 7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NC2(CO)CCCC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is VSZOKQNGJIORKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-13-9(6-10-15-16-11(19)17(8)10)14-12(7-18)4-2-3-5-12/h6,14,18H,2-5,7H2,1H3,(H,16,19).
What are the key properties of 7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 263.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(hydroxymethyl)cyclopentyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).