7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C11H15N5O2 — CID 43428093

IUPAC7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NCCCO)cnc2ncnn12
InChIInChI=1S/C11H15N5O2/c1-2-9-8(10(18)12-4-3-5-17)6-13-11-14-7-15-16(9)11/h6-7,17H,2-5H2,1H3,(H,12,18)
InChIKeyIGSKWDRCTKYSHT-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.20
Rot. Bonds5

About 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 43428093) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID43428093
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NCCCO)cnc2ncnn12
InChIInChI=1S/C11H15N5O2/c1-2-9-8(10(18)12-4-3-5-17)6-13-11-14-7-15-16(9)11/h6-7,17H,2-5H2,1H3,(H,12,18)
InChIKeyIGSKWDRCTKYSHT-UHFFFAOYSA-N
XLogP-0.20
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-ethyl-N-(3-hydroxypropyl)-[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

Related Compounds

3-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167067
7-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 79031004
2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65217994
7-ethyl-N-(1-hydroxybutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 43428102
7-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 93044643
7-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 106167113
7-ethyl-N-(2-methoxyethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 82722092
2-[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]-2-methylpropanoic acid
CID 61261162
7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 63565575
7-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 61004751
7-ethyl-N-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 82721850
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 43428093) is 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)NCCCO)cnc2ncnn12.
What is the InChIKey of 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is IGSKWDRCTKYSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-9-8(10(18)12-4-3-5-17)6-13-11-14-7-15-16(9)11/h6-7,17H,2-5H2,1H3,(H,12,18).
What are the key properties of 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 43428093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).