5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H23N5O2 — CID 46557208

IUPAC5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCCOC(C)c3ccccc3)nc2n1
InChIInChI=1S/C19H23N5O2/c1-13-12-14(2)24-19(21-13)22-17(23-24)18(25)20-10-7-11-26-15(3)16-8-5-4-6-9-16/h4-6,8-9,12,15H,7,10-11H2,1-3H3,(H,20,25)
InChIKeyRITDOEGMRRTYQF-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.64
Rot. Bonds7

About 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46557208) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46557208
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCCCOC(C)c3ccccc3)nc2n1
InChIInChI=1S/C19H23N5O2/c1-13-12-14(2)24-19(21-13)22-17(23-24)18(25)20-10-7-11-26-15(3)16-8-5-4-6-9-16/h4-6,8-9,12,15H,7,10-11H2,1-3H3,(H,20,25)
InChIKeyRITDOEGMRRTYQF-UHFFFAOYSA-N
XLogP2.64
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-(3-aminopropyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119408047
N-(3-benzylsulfonylpropyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 87017202
N-(2-hydroxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43393604
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34733419
(2S)-4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834336
3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674249
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
2,7-dimethyl-N-[3-(1-phenylethoxy)propyl]quinoline-3-carboxamide
CID 55651536
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119526851
4-oxo-3-phenyl-N-[3-(1-phenylethoxy)propyl]phthalazine-1-carboxamide
CID 24583740

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 46557208) is 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCCCOC(C)c3ccccc3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RITDOEGMRRTYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-12-14(2)24-19(21-13)22-17(23-24)18(25)20-10-7-11-26-15(3)16-8-5-4-6-9-16/h4-6,8-9,12,15H,7,10-11H2,1-3H3,(H,20,25).
What are the key properties of 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[3-(1-phenylethoxy)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46557208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).