5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H20N6 — CID 61221327

IUPAC5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)CN2CCCC2)n2ncnc2n1
InChIInChI=1S/C13H20N6/c1-10-7-12(19-13(17-10)14-9-15-19)16-11(2)8-18-5-3-4-6-18/h7,9,11,16H,3-6,8H2,1-2H3
InChIKeyOVJWQBCCPBYUED-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.33
Rot. Bonds4

About 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 61221327) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID61221327
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)CN2CCCC2)n2ncnc2n1
InChIInChI=1S/C13H20N6/c1-10-7-12(19-13(17-10)14-9-15-19)16-11(2)8-18-5-3-4-6-18/h7,9,11,16H,3-6,8H2,1-2H3
InChIKeyOVJWQBCCPBYUED-UHFFFAOYSA-N
XLogP1.33
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 61221327) is 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)CN2CCCC2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OVJWQBCCPBYUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-7-12(19-13(17-10)14-9-15-19)16-11(2)8-18-5-3-4-6-18/h7,9,11,16H,3-6,8H2,1-2H3.
What are the key properties of 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 260.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 61221327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).