2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C8H11N5O — CID 143941054

IUPAC2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1nc2n(n1)CC(C(N)=O)=CN2
InChIInChI=1S/C8H11N5O/c1-2-6-11-8-10-3-5(7(9)14)4-13(8)12-6/h3H,2,4H2,1H3,(H2,9,14)(H,10,11,12)
InChIKeyLITXLQPJQWBCLE-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.36
Rot. Bonds2

About 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 143941054) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID143941054
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1nc2n(n1)CC(C(N)=O)=CN2
InChIInChI=1S/C8H11N5O/c1-2-6-11-8-10-3-5(7(9)14)4-13(8)12-6/h3H,2,4H2,1H3,(H2,9,14)(H,10,11,12)
InChIKeyLITXLQPJQWBCLE-UHFFFAOYSA-N
XLogP-0.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 143941054) is 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1nc2n(n1)CC(C(N)=O)=CN2.
What is the InChIKey of 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LITXLQPJQWBCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-2-6-11-8-10-3-5(7(9)14)4-13(8)12-6/h3H,2,4H2,1H3,(H2,9,14)(H,10,11,12).
What are the key properties of 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 193.21 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 143941054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).