5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine

C10H13N5O — CID 62348364

IUPAC5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OC2CCNC2)n2ncnc2n1
InChIInChI=1S/C10H13N5O/c1-7-4-9(16-8-2-3-11-5-8)15-10(14-7)12-6-13-15/h4,6,8,11H,2-3,5H2,1H3
InChIKeyGDNHPZOUTZVGIJ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.17
Rot. Bonds2

About 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 62348364) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID62348364
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OC2CCNC2)n2ncnc2n1
InChIInChI=1S/C10H13N5O/c1-7-4-9(16-8-2-3-11-5-8)15-10(14-7)12-6-13-15/h4,6,8,11H,2-3,5H2,1H3
InChIKeyGDNHPZOUTZVGIJ-UHFFFAOYSA-N
XLogP0.17
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine (CID 62348364) is 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(OC2CCNC2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GDNHPZOUTZVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-4-9(16-8-2-3-11-5-8)15-10(14-7)12-6-13-15/h4,6,8,11H,2-3,5H2,1H3.
What are the key properties of 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 219.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 62348364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).