1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide

C11H14N6O — CID 42917859

IUPAC1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(N2CCCC2C(N)=O)n2ncnc2n1
InChIInChI=1S/C11H14N6O/c1-7-5-9(17-11(15-7)13-6-14-17)16-4-2-3-8(16)10(12)18/h5-6,8H,2-4H2,1H3,(H2,12,18)
InChIKeyOXPOVYQHCBSZSP-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.11
Rot. Bonds2

About 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide (PubChem CID 42917859) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide
PubChem CID42917859
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(N2CCCC2C(N)=O)n2ncnc2n1
InChIInChI=1S/C11H14N6O/c1-7-5-9(17-11(15-7)13-6-14-17)16-4-2-3-8(16)10(12)18/h5-6,8H,2-4H2,1H3,(H2,12,18)
InChIKeyOXPOVYQHCBSZSP-UHFFFAOYSA-N
XLogP-0.11
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide (CID 42917859) is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide is Cc1cc(N2CCCC2C(N)=O)n2ncnc2n1.
What is the InChIKey of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
The InChIKey is OXPOVYQHCBSZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-5-9(17-11(15-7)13-6-14-17)16-4-2-3-8(16)10(12)18/h5-6,8H,2-4H2,1H3,(H2,12,18).
What are the key properties of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42917859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).