7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H17N5O — CID 66283718

IUPAC7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(C)C(c1cc2n[nH]c(=O)n2cn1)C(C)N
InChIInChI=1S/C11H17N5O/c1-6(2)10(7(3)12)8-4-9-14-15-11(17)16(9)5-13-8/h4-7,10H,12H2,1-3H3,(H,15,17)
InChIKeyQBPKLJPLMWLRPA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.50
Rot. Bonds3

About 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283718) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283718
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(C)C(c1cc2n[nH]c(=O)n2cn1)C(C)N
InChIInChI=1S/C11H17N5O/c1-6(2)10(7(3)12)8-4-9-14-15-11(17)16(9)5-13-8/h4-7,10H,12H2,1-3H3,(H,15,17)
InChIKeyQBPKLJPLMWLRPA-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283718) is 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC(C)C(c1cc2n[nH]c(=O)n2cn1)C(C)N.
What is the InChIKey of 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is QBPKLJPLMWLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-6(2)10(7(3)12)8-4-9-14-15-11(17)16(9)5-13-8/h4-7,10H,12H2,1-3H3,(H,15,17).
What are the key properties of 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 235.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-4-methylpentan-3-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).