2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine

C9H13N5 — CID 82468858

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
SMILESCc1cc(C)n2nc(CCN)nc2n1
InChIInChI=1S/C9H13N5/c1-6-5-7(2)14-9(11-6)12-8(13-14)3-4-10/h5H,3-4,10H2,1-2H3
InChIKeyYYYIQSDSFJYWOL-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.24
Rot. Bonds2

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine (PubChem CID 82468858) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
PubChem CID82468858
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
SMILESCc1cc(C)n2nc(CCN)nc2n1
InChIInChI=1S/C9H13N5/c1-6-5-7(2)14-9(11-6)12-8(13-14)3-4-10/h5H,3-4,10H2,1-2H3
InChIKeyYYYIQSDSFJYWOL-UHFFFAOYSA-N
XLogP0.24
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanamine;dihydrochloride
CID 146050004
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 20855075
2-(aminomethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 13019084
2-bromo-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 854932
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-(3-aminopropyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119408047
5,7-dimethyl-2-[2-(6-pyrrolidin-1-ylpyrazin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 72706927
5,7-dimethyl-2-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;trihydrochloride
CID 132899139
2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propyl]-4-fluoroanilino]ethanol
CID 129134627
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinoxalin-2-amine
CID 155523000
N-cycloheptyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine (CID 82468858) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine is Cc1cc(C)n2nc(CCN)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine?
The InChIKey is YYYIQSDSFJYWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6-5-7(2)14-9(11-6)12-8(13-14)3-4-10/h5H,3-4,10H2,1-2H3.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine has a molecular weight of 191.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine is sourced from PubChem (CID 82468858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).