N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H23N5O — CID 133293620

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCOc2ccccc2C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C18H23N5O/c1-13-11-16(23-17(22-13)20-12-21-23)19-9-10-24-15-8-6-5-7-14(15)18(2,3)4/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyDXDQHTLDYGDLBK-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133293620) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133293620
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCOc2ccccc2C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C18H23N5O/c1-13-11-16(23-17(22-13)20-12-21-23)19-9-10-24-15-8-6-5-7-14(15)18(2,3)4/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyDXDQHTLDYGDLBK-UHFFFAOYSA-N
XLogP3.22
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.22
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-[2-(3-bromophenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270163
5-methyl-N-(3-phenylmethoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18095972
5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82944187
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439
N-(4-tert-butyl-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347392
4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine
CID 114163264
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
CID 80505333
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816834
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133293620) is N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCOc2ccccc2C(C)(C)C)n2ncnc2n1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DXDQHTLDYGDLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-11-16(23-17(22-13)20-12-21-23)19-9-10-24-15-8-6-5-7-14(15)18(2,3)4/h5-8,11-12,19H,9-10H2,1-4H3.
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 325.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133293620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).