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

C11H15N5O2 — CID 79031004

IUPAC7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)N[C@H](C)CO)cnc2ncnn12
InChIInChI=1S/C11H15N5O2/c1-3-9-8(10(18)15-7(2)5-17)4-12-11-13-6-14-16(9)11/h4,6-7,17H,3,5H2,1-2H3,(H,15,18)/t7-/m1/s1
InChIKeyVUIKADJWSLJDJE-SSDOTTSWSA-N
MW249.27 g/mol
LogP-0.20
Rot. Bonds4

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

7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 79031004) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID79031004
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)N[C@H](C)CO)cnc2ncnn12
InChIInChI=1S/C11H15N5O2/c1-3-9-8(10(18)15-7(2)5-17)4-12-11-13-6-14-16(9)11/h4,6-7,17H,3,5H2,1-2H3,(H,15,18)/t7-/m1/s1
InChIKeyVUIKADJWSLJDJE-SSDOTTSWSA-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

Analyze 7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 79031004) is 7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)N[C@H](C)CO)cnc2ncnn12.
What is the InChIKey of 7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VUIKADJWSLJDJE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-3-9-8(10(18)15-7(2)5-17)4-12-11-13-6-14-16(9)11/h4,6-7,17H,3,5H2,1-2H3,(H,15,18)/t7-/m1/s1.
What are the key properties of 7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[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-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 79031004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).