2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone

C13H18N6O — CID 18100815

IUPAC2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(N(C)CC(=O)N2CCCC2)n2ncnc2n1
InChIInChI=1S/C13H18N6O/c1-10-7-11(19-13(16-10)14-9-15-19)17(2)8-12(20)18-5-3-4-6-18/h7,9H,3-6,8H2,1-2H3
InChIKeyDHTWIWXZPZDIQI-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.49
Rot. Bonds3

About 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone

2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 18100815) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID18100815
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(N(C)CC(=O)N2CCCC2)n2ncnc2n1
InChIInChI=1S/C13H18N6O/c1-10-7-11(19-13(16-10)14-9-15-19)17(2)8-12(20)18-5-3-4-6-18/h7,9H,3-6,8H2,1-2H3
InChIKeyDHTWIWXZPZDIQI-UHFFFAOYSA-N
XLogP0.49
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone (CID 18100815) is 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone is Cc1cc(N(C)CC(=O)N2CCCC2)n2ncnc2n1.
What is the InChIKey of 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is DHTWIWXZPZDIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10-7-11(19-13(16-10)14-9-15-19)17(2)8-12(20)18-5-3-4-6-18/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 274.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 18100815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).