5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H21N5O — CID 133270243

IUPAC5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCCc2ccc(OC)cc2)n2ncnc2n1
InChIInChI=1S/C17H21N5O/c1-3-14-11-16(22-17(21-14)19-12-20-22)18-10-4-5-13-6-8-15(23-2)9-7-13/h6-9,11-12,18H,3-5,10H2,1-2H3
InChIKeyGNMIXMKKIOAVEE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.74
Rot. Bonds7

About 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133270243) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133270243
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NCCCc2ccc(OC)cc2)n2ncnc2n1
InChIInChI=1S/C17H21N5O/c1-3-14-11-16(22-17(21-14)19-12-20-22)18-10-4-5-13-6-8-15(23-2)9-7-13/h6-9,11-12,18H,3-5,10H2,1-2H3
InChIKeyGNMIXMKKIOAVEE-UHFFFAOYSA-N
XLogP2.74
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]phenyl]acetamide
CID 133287938
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918380
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
5-ethyl-N-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133465006
1-[[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopentan-1-ol
CID 133271933
N-(5-chloro-2-methoxyphenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433978
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295553
N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141209103
5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154743615
1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353221
5-(methoxymethyl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295647
N-(3-chlorophenyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433997

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133270243) is 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NCCCc2ccc(OC)cc2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GNMIXMKKIOAVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-14-11-16(22-17(21-14)19-12-20-22)18-10-4-5-13-6-8-15(23-2)9-7-13/h6-9,11-12,18H,3-5,10H2,1-2H3.
What are the key properties of 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 311.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133270243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).