2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one

C10H15N5O — CID 58603085

IUPAC2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(C)CCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C10H15N5O/c1-7(2)3-4-14-5-6-15-9(14)12-8(11)13-10(15)16/h5-7H,3-4H2,1-2H3,(H2,11,13,16)
InChIKeyMLOZYFDYRJLZFH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.52
Rot. Bonds3

About 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one

2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 58603085) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID58603085
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(C)CCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C10H15N5O/c1-7(2)3-4-14-5-6-15-9(14)12-8(11)13-10(15)16/h5-7H,3-4H2,1-2H3,(H2,11,13,16)
InChIKeyMLOZYFDYRJLZFH-UHFFFAOYSA-N
XLogP0.52
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one (CID 58603085) is 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one is CC(C)CCn1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is MLOZYFDYRJLZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7(2)3-4-14-5-6-15-9(14)12-8(11)13-10(15)16/h5-7H,3-4H2,1-2H3,(H2,11,13,16).
What are the key properties of 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(3-methylbutyl)imidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 58603085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).