6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C9H13N5O — CID 22432235

IUPAC6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1nc2nc(C)c(N)c(=O)n2[nH]1
InChIInChI=1S/C9H13N5O/c1-3-4-6-12-9-11-5(2)7(10)8(15)14(9)13-6/h3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyXNBFZTLFDKKGOE-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.26
Rot. Bonds2

About 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 22432235) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID22432235
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1nc2nc(C)c(N)c(=O)n2[nH]1
InChIInChI=1S/C9H13N5O/c1-3-4-6-12-9-11-5(2)7(10)8(15)14(9)13-6/h3-4,10H2,1-2H3,(H,11,12,13)
InChIKeyXNBFZTLFDKKGOE-UHFFFAOYSA-N
XLogP0.26
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 22432235) is 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1nc2nc(C)c(N)c(=O)n2[nH]1.
What is the InChIKey of 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XNBFZTLFDKKGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-4-6-12-9-11-5(2)7(10)8(15)14(9)13-6/h3-4,10H2,1-2H3,(H,11,12,13).
What are the key properties of 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 207.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-2-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22432235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).