7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H18N6 — CID 162659086

IUPAC7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC3(CCNC3)C2)n2ncnc2n1
InChIInChI=1S/C13H18N6/c1-10-6-11(19-12(17-10)15-9-16-19)18-5-3-13(8-18)2-4-14-7-13/h6,9,14H,2-5,7-8H2,1H3
InChIKeyKPSKRSDOPQQYCQ-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.62
Rot. Bonds1

About 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 162659086) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID162659086
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC3(CCNC3)C2)n2ncnc2n1
InChIInChI=1S/C13H18N6/c1-10-6-11(19-12(17-10)15-9-16-19)18-5-3-13(8-18)2-4-14-7-13/h6,9,14H,2-5,7-8H2,1H3
InChIKeyKPSKRSDOPQQYCQ-UHFFFAOYSA-N
XLogP0.62
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 162659086) is 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCC3(CCNC3)C2)n2ncnc2n1.
What is the InChIKey of 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KPSKRSDOPQQYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-10-6-11(19-12(17-10)15-9-16-19)18-5-3-13(8-18)2-4-14-7-13/h6,9,14H,2-5,7-8H2,1H3.
What are the key properties of 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 258.33 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,7-diazaspiro[4.4]nonan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162659086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).