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

C11H17N5O — CID 66276860

IUPAC7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCC(c1cc2n[nH]c(=O)n2c(C)n1)C(C)N
InChIInChI=1S/C11H17N5O/c1-4-8(6(2)12)9-5-10-14-15-11(17)16(10)7(3)13-9/h5-6,8H,4,12H2,1-3H3,(H,15,17)
InChIKeyRPOYEHWPNXMGFS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.57
Rot. Bonds3

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

7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66276860) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66276860
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCC(c1cc2n[nH]c(=O)n2c(C)n1)C(C)N
InChIInChI=1S/C11H17N5O/c1-4-8(6(2)12)9-5-10-14-15-11(17)16(10)7(3)13-9/h5-6,8H,4,12H2,1-3H3,(H,15,17)
InChIKeyRPOYEHWPNXMGFS-UHFFFAOYSA-N
XLogP0.57
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66276860) is 7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCC(c1cc2n[nH]c(=O)n2c(C)n1)C(C)N.
What is the InChIKey of 7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is RPOYEHWPNXMGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-8(6(2)12)9-5-10-14-15-11(17)16(10)7(3)13-9/h5-6,8H,4,12H2,1-3H3,(H,15,17).
What are the key properties of 7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopentan-3-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66276860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).