7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C20H25N5O3 — CID 51591882

IUPAC7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1
InChIInChI=1S/C20H25N5O3/c1-13(11-28-15-8-6-14(27-5)7-9-15)23-18(26)16-10-17(20(2,3)4)25-19(24-16)21-12-22-25/h6-10,12-13H,11H2,1-5H3,(H,23,26)/t13-/m0/s1
InChIKeyAKIORJJYSHVMQL-ZDUSSCGKSA-N
MW383.45 g/mol
LogP2.63
Rot. Bonds6

About 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 51591882) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID51591882
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1ccc(OC[C@H](C)NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1
InChIInChI=1S/C20H25N5O3/c1-13(11-28-15-8-6-14(27-5)7-9-15)23-18(26)16-10-17(20(2,3)4)25-19(24-16)21-12-22-25/h6-10,12-13H,11H2,1-5H3,(H,23,26)/t13-/m0/s1
InChIKeyAKIORJJYSHVMQL-ZDUSSCGKSA-N
XLogP2.63
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-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-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 51591882) is 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is COc1ccc(OC[C@H](C)NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1.
What is the InChIKey of 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is AKIORJJYSHVMQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13(11-28-15-8-6-14(27-5)7-9-15)23-18(26)16-10-17(20(2,3)4)25-19(24-16)21-12-22-25/h6-10,12-13H,11H2,1-5H3,(H,23,26)/t13-/m0/s1.
What are the key properties of 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 51591882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).