7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C11H15N5O2 — CID 43428112

IUPAC7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NCC(C)O)cnc2ncnn12
InChIInChI=1S/C11H15N5O2/c1-3-9-8(10(18)12-4-7(2)17)5-13-11-14-6-15-16(9)11/h5-7,17H,3-4H2,1-2H3,(H,12,18)
InChIKeyOEILUKJBJBSVQH-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.20
Rot. Bonds4

About 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 43428112) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID43428112
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NCC(C)O)cnc2ncnn12
InChIInChI=1S/C11H15N5O2/c1-3-9-8(10(18)12-4-7(2)17)5-13-11-14-6-15-16(9)11/h5-7,17H,3-4H2,1-2H3,(H,12,18)
InChIKeyOEILUKJBJBSVQH-UHFFFAOYSA-N
XLogP-0.20
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 43428112) is 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)NCC(C)O)cnc2ncnn12.
What is the InChIKey of 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OEILUKJBJBSVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-9-8(10(18)12-4-7(2)17)5-13-11-14-6-15-16(9)11/h5-7,17H,3-4H2,1-2H3,(H,12,18).
What are the key properties of 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 43428112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).