2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C10H13N5O — CID 84786678

IUPAC2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCCc1nc2ncc(C(=O)C(C)N)cn2n1
InChIInChI=1S/C10H13N5O/c1-3-8-13-10-12-4-7(5-15(10)14-8)9(16)6(2)11/h4-6H,3,11H2,1-2H3
InChIKeyHCQPCWYVOZHOKX-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.22
Rot. Bonds3

About 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one

2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 84786678) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID84786678
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCCc1nc2ncc(C(=O)C(C)N)cn2n1
InChIInChI=1S/C10H13N5O/c1-3-8-13-10-12-4-7(5-15(10)14-8)9(16)6(2)11/h4-6H,3,11H2,1-2H3
InChIKeyHCQPCWYVOZHOKX-UHFFFAOYSA-N
XLogP0.22
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84787761
2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
CID 84787363
2-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 114514173
2-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82595197
2-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine
CID 82043969
2-(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
CID 84673413
ethyl 2-ethyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 16583864
ethyl 7-amino-2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 28740744
2-amino-1-(1-ethylbenzimidazol-5-yl)propan-1-one
CID 82493365
2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol
CID 84782999
3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84787752
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 84786678) is 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one is CCc1nc2ncc(C(=O)C(C)N)cn2n1.
What is the InChIKey of 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is HCQPCWYVOZHOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-3-8-13-10-12-4-7(5-15(10)14-8)9(16)6(2)11/h4-6H,3,11H2,1-2H3.
What are the key properties of 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 219.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 84786678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).